A0A5K4F403_SCHMA Loading...

TRAF3-interacting protein 1

AlphaFold DB , UniProt , Accession A0A5K4F403, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 537 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.9Low66.3Low215 Ų215118.9 Ų118.9100%1.05962%0.617SS**  0-55.50-115.4-179.7-154.700112.7V3 F4 V5M1-V3 PolarHBondContact O-N 3.39Å; M1-F4 PolarHBondContact O-N 3.13Å; M1-F4 VanDerWaalsContact O-N 3.08Å; M1-V5 PolarHBondContact O-N 3.35Å
2L59.7Low65.6Low132 Ų132116.2 Ų116.269%0.69161%0.614SS**Hα-helixtrans-54.4-42.1-179.3-92.4121.7000114.9F4 V5 F6L2-F4 VanDerWaalsContact C-N 3.27Å; L2-F4 PolarHBondContact O-N 3.34Å; L2-V5 PolarHBondContact O-N 2.9Å; L2-F6 HydrophobicContact CD2-CE2 4.19Å; L2-F6 WeakPolarHBondContact O-CD2 3.38Å; L2-F6 PolarHBondContact O-N 3.49Å; L2-F6 VanDerWaalsContact O-N 3.08Å
3V67.3Low65.4Low108 Ų108113 Ų11366%0.65561%0.606SS**Hα-helixtrans-62.5-33.8178.9-176.40000112.3M1 L7M1-V3 PolarHBondContact O-N 3.39Å; V3-L7 HydrophobicContact CG1-CD1 4.04Å; V3-L7 HydrophobicContact CG1-CG 4.48Å; V3-L7 WeakPolarHBondContact O-CB 3.29Å; V3-L7 WeakPolarHBondContact O-CG 3.43Å; V3-L7 PolarHBondContact O-N 3.26Å
4F63.2Low65.6Low151 Ų151115.5 Ų115.566%0.66260%0.604SS**Hα-helixtrans-74.6-29.8-179.6-141.4-93.3000112.2M1 L2 N8M1-F4 PolarHBondContact O-N 3.13Å; M1-F4 VanDerWaalsContact O-N 3.08Å; L2-F4 VanDerWaalsContact C-N 3.27Å; L2-F4 PolarHBondContact O-N 3.34Å; F4-N8 WeakPolarHBondContact CD1-ND2 3.38Å; F4-N8 PolarHBondContact O-N 3.05Å; F4-N8 PolarHBondContact O-ND2 3.21Å
5V69.1Low65.4Low87 Ų87112.7 Ų112.753%0.52760%0.598SS.*Hα-helixtrans-72.1-45.9173.3-179.10000110M1 L2 L7 N8 D9M1-V5 PolarHBondContact O-N 3.35Å; L2-V5 PolarHBondContact O-N 2.9Å; V5-L7 PolarHBondContact O-N 3.31Å; V5-N8 PolarHBondContact O-N 3.15Å; V5-D9 PolarHBondContact O-N 3.45Å
6F67Low65.1Low133 Ų133109.8 Ų109.858%0.58359%0.589SS**Hα-helixtrans-61.6-40176.7-89.6-77.7000113.1L2 D9 I10L2-F6 HydrophobicContact CD2-CE2 4.19Å; L2-F6 WeakPolarHBondContact O-CD2 3.38Å; L2-F6 PolarHBondContact O-N 3.49Å; L2-F6 VanDerWaalsContact O-N 3.08Å; F6-D9 PolarHBondContact O-N 2.9Å; F6-I10 WeakPolarHBondContact O-CB 3.38Å; F6-I10 WeakPolarHBondContact O-CD1 3.43Å; F6-I10 WeakPolarHBondContact O-CG1 3.39Å; F6-I10 PolarHBondContact O-N 3.31Å
7L69.6Low64.8Low98 Ų98109.4 Ų109.451%0.51359%0.586SS.*Hα-helixtrans-66.7-40.8176.6-74.1169.2000112V3 V5 I10 T11V3-L7 HydrophobicContact CG1-CD1 4.04Å; V3-L7 HydrophobicContact CG1-CG 4.48Å; V3-L7 WeakPolarHBondContact O-CB 3.29Å; V3-L7 WeakPolarHBondContact O-CG 3.43Å; V3-L7 PolarHBondContact O-N 3.26Å; V5-L7 PolarHBondContact O-N 3.31Å; L7-I10 PolarHBondContact O-N 2.72Å; L7-T11 PolarHBondContact O-N 2.87Å; L7-T11 PolarHBondContact O-OG1 3.22Å
8N67.9Low64.2Low91 Ų91106.8 Ų106.849%0.48757%0.57SS.*Hα-helixtrans-66.7-38.1176.5-81.4-56.9000112.8F4 V5 T11 C12F4-N8 WeakPolarHBondContact CD1-ND2 3.38Å; F4-N8 PolarHBondContact O-N 3.05Å; F4-N8 PolarHBondContact O-ND2 3.21Å; V5-N8 PolarHBondContact O-N 3.15Å; N8-T11 PolarHBondContact O-N 3.26Å; N8-C12 VanDerWaalsContact O-CB 3.3Å; N8-C12 WeakPolarHBondContact O-CB 3.33Å; N8-C12 PolarHBondContact O-N 2.96Å
9D67.3Low63.6Low99 Ų99106.9 Ų106.953%0.52957%0.57SS.*Hα-helixtrans-66.4-38.9174.1-80.4-24.1000111.5V5 F6 C12 C13V5-D9 PolarHBondContact O-N 3.45Å; F6-D9 PolarHBondContact O-N 2.9Å; D9-C12 PolarHBondContact O-N 3.09Å; D9-C13 VanDerWaalsContact O-CB 3.29Å; D9-C13 WeakPolarHBondContact O-CB 3.49Å; D9-C13 PolarHBondContact O-N 3.49Å
10I71.2Confident63.2Low105 Ų105107.6 Ų107.654%0.53857%0.573SS.*Hα-helixtrans-66-42.3173.7-67.9165.9000110.9F6 L7 C13 Y14F6-I10 WeakPolarHBondContact O-CB 3.38Å; F6-I10 WeakPolarHBondContact O-CD1 3.43Å; F6-I10 WeakPolarHBondContact O-CG1 3.39Å; F6-I10 PolarHBondContact O-N 3.31Å; L7-I10 PolarHBondContact O-N 2.72Å; I10-C13 PolarHBondContact O-N 2.89Å; I10-Y14 VanDerWaalsContact O-CB 3.25Å; I10-Y14 WeakPolarHBondContact O-CB 3.48Å; I10-Y14 PolarHBondContact O-N 3.08Å
11T68.9Low62.5Low89 Ų89111.7 Ų111.755%0.54658%0.58SS.*Hα-helixtrans-65.5-39.2176.5-52.20000111.5L7 N8 Y14 S15L7-T11 PolarHBondContact O-N 2.87Å; L7-T11 PolarHBondContact O-OG1 3.22Å; N8-T11 PolarHBondContact O-N 3.26Å; T11-Y14 PolarHBondContact O-N 3.43Å; T11-S15 WeakPolarHBondContact O-CB 3.29Å; T11-S15 PolarHBondContact O-N 2.97Å
12C58.4Low62.1Low86 Ų86104.3 Ų104.358%0.58155%0.545SS*.Hα-helixtrans-68.2-42.1176-165.30000111.6N8 D9 S15 S16N8-C12 VanDerWaalsContact O-CB 3.3Å; N8-C12 WeakPolarHBondContact O-CB 3.33Å; N8-C12 PolarHBondContact O-N 2.96Å; D9-C12 PolarHBondContact O-N 3.09Å; C12-S15 PolarHBondContact O-N 3.48Å; C12-S16 VanDerWaalsContact O-CB 3.29Å; C12-S16 WeakPolarHBondContact O-CB 3.31Å; C12-S16 PolarHBondContact O-N 2.97Å
13C62.4Low61.6Low75 Ų75106.2 Ų106.251%0.50755%0.553SS.*Hα-helixtrans-62.4-42.6171.5-83.40000111.6D9 I10 S16 I17D9-C13 VanDerWaalsContact O-CB 3.29Å; D9-C13 WeakPolarHBondContact O-CB 3.49Å; D9-C13 PolarHBondContact O-N 3.49Å; I10-C13 PolarHBondContact O-N 2.89Å; C13-S16 PolarHBondContact O-N 3.46Å; C13-I17 VanDerWaalsContact O-CB 3.27Å; C13-I17 WeakPolarHBondContact O-CB 3.48Å; C13-I17 WeakPolarHBondContact O-CD1 3.4Å; C13-I17 WeakPolarHBondContact O-CG1 3.42Å; C13-I17 PolarHBondContact O-N 3.2Å
14Y68.8Low61Low148 Ų148104.5 Ų104.558%0.5856%0.557SS**Hα-helixtrans-64.2-44.1178-163.2-94.4000111.2I10 T11 S16 I17 Q18I10-Y14 VanDerWaalsContact O-CB 3.25Å; I10-Y14 WeakPolarHBondContact O-CB 3.48Å; I10-Y14 PolarHBondContact O-N 3.08Å; T11-Y14 PolarHBondContact O-N 3.43Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.38Å; Y14-I17 PolarHBondContact O-N 2.91Å; Y14-Q18 HydrophobicContact CD1-CG 3.84Å; Y14-Q18 HydrophobicContact CE1-CG 3.73Å; Y14-Q18 VanDerWaalsContact O-CB 3.31Å; Y14-Q18 WeakPolarHBondContact O-CB 3.33Å; Y14-Q18 WeakPolarHBondContact O-CG 3.48Å; Y14-Q18 PolarHBondContact O-N 3.44Å; Y14-Q18 PolarHBondContact OH-NE2 2.85Å
15S62Low60.7Low74 Ų74103.3 Ų103.352%0.51755%0.554SS.*Hα-helixtrans-66.1-35.2176.4-150.90000112.1T11 C12 N19T11-S15 WeakPolarHBondContact O-CB 3.29Å; T11-S15 PolarHBondContact O-N 2.97Å; C12-S15 PolarHBondContact O-N 3.48Å; S15-N19 WeakPolarHBondContact O-CB 3.46Å; S15-N19 PolarHBondContact O-N 3.3Å
16S61.4Low60.7Low65 Ų65100.1 Ų100.146%0.45553%0.533SS..Hα-helixtrans-74.6-34.7175.8-155.90000112.5C12 C13 Y14 N19 I20C12-S16 VanDerWaalsContact O-CB 3.29Å; C12-S16 WeakPolarHBondContact O-CB 3.31Å; C12-S16 PolarHBondContact O-N 2.97Å; C13-S16 PolarHBondContact O-N 3.46Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 3.38Å; S16-N19 PolarHBondContact O-N 2.85Å; S16-I20 WeakPolarHBondContact O-CD1 3.43Å; S16-I20 WeakPolarHBondContact O-CG1 3.43Å; S16-I20 PolarHBondContact O-N 2.85Å
17I59.8Low61.1Low103 Ų10397.9 Ų97.953%0.52853%0.527SS..Hα-helixtrans-70.5-39.9173.9-70.7163.8000110.5C13 Y14 I20 R21C13-I17 VanDerWaalsContact O-CB 3.27Å; C13-I17 WeakPolarHBondContact O-CB 3.48Å; C13-I17 WeakPolarHBondContact O-CD1 3.4Å; C13-I17 WeakPolarHBondContact O-CG1 3.42Å; C13-I17 PolarHBondContact O-N 3.2Å; Y14-I17 PolarHBondContact O-N 2.91Å; I17-I20 PolarHBondContact O-N 3.49Å; I17-I20 VanDerWaalsContact O-N 3.17Å; I17-R21 WeakPolarHBondContact O-CB 3.38Å; I17-R21 PolarHBondContact O-N 3.41Å
18Q54.3Low61.8Low63 Ų6396.2 Ų96.229%0.29452%0.521SS..Hα-helixtrans-61.6-43.4172.5-73.8-73.4-400110.9Y14 I20 R21 N22Y14-Q18 HydrophobicContact CD1-CG 3.84Å; Y14-Q18 HydrophobicContact CE1-CG 3.73Å; Y14-Q18 VanDerWaalsContact O-CB 3.31Å; Y14-Q18 WeakPolarHBondContact O-CB 3.33Å; Y14-Q18 WeakPolarHBondContact O-CG 3.48Å; Y14-Q18 PolarHBondContact O-N 3.44Å; Y14-Q18 PolarHBondContact OH-NE2 2.85Å; Q18-I20 VanDerWaalsContact C-N 3.29Å; Q18-I20 PolarHBondContact O-N 3.29Å; Q18-R21 PolarHBondContact O-N 3.23Å; Q18-N22 WeakPolarHBondContact O-CB 3.45Å; Q18-N22 VanDerWaalsContact O-CG 3.25Å; Q18-N22 PolarHBondContact O-N 2.87Å; Q18-N22 PolarHBondContact O-OD1 2.91Å
19N52.4Low62.6Low109 Ų109100.2 Ų100.258%0.58353%0.534SS*.Hα-helixtrans-63.1-31.3172.8-95.4-16.8000113.8S15 S16S15-N19 WeakPolarHBondContact O-CB 3.46Å; S15-N19 PolarHBondContact O-N 3.3Å; S16-N19 PolarHBondContact O-N 2.85Å
20I55.3Low63.6Low121 Ų12197.9 Ų97.962%0.62152%0.521SS*.Hα-helixtrans-77.9-36.4175.9-68.1162.8000111.2S16 I17 Q18 N22 M23S16-I20 WeakPolarHBondContact O-CD1 3.43Å; S16-I20 WeakPolarHBondContact O-CG1 3.43Å; S16-I20 PolarHBondContact O-N 2.85Å; I17-I20 PolarHBondContact O-N 3.49Å; I17-I20 VanDerWaalsContact O-N 3.17Å; Q18-I20 VanDerWaalsContact C-N 3.29Å; Q18-I20 PolarHBondContact O-N 3.29Å; I20-N22 VanDerWaalsContact C-N 3.31Å; I20-M23 PolarHBondContact O-N 3.4Å
21R47.8Very low64.5Low193 Ų19393 Ų9373%0.72850%0.497SS*.Hα-helixtrans-66.9-34.1174.7-165.7173.4-177160.2-0.5111.5I17 Q18 M23I17-R21 WeakPolarHBondContact O-CB 3.38Å; I17-R21 PolarHBondContact O-N 3.41Å; Q18-R21 PolarHBondContact O-N 3.23Å; R21-M23 VanDerWaalsContact C-N 3.32Å; R21-M23 PolarHBondContact O-N 3.2Å
22N49.9Very low65.5Low60 Ų6094.4 Ų94.432%0.32150%0.495SS..G310 helixtrans-77.8-4.8178.8-72.711000114.8Q18 I20 G24 E25Q18-N22 WeakPolarHBondContact O-CB 3.45Å; Q18-N22 VanDerWaalsContact O-CG 3.25Å; Q18-N22 PolarHBondContact O-N 2.87Å; Q18-N22 PolarHBondContact O-OD1 2.91Å; I20-N22 VanDerWaalsContact C-N 3.31Å; N22-G24 PolarHBondContact O-N 2.95Å; N22-E25 PolarHBondContact O-N 3.27Å
23M50.2Low67Low172 Ų17296.8 Ų96.885%0.84749%0.492SS*.G310 helixtrans-63.6-3.3178.7-81.1-83.3169.400114.9I20 R21I20-M23 PolarHBondContact O-N 3.4Å; R21-M23 VanDerWaalsContact C-N 3.32Å; R21-M23 PolarHBondContact O-N 3.2Å
24G53.8Low68.3Low73 Ų7393.2 Ų93.275%0.75347%0.468SS*.G310 helixtrans-125.4-0.9172.200000114.9N22N22-G24 PolarHBondContact O-N 2.95Å
25E58.1Low69.4Low125 Ų12589 Ų8958%0.58445%0.453SS*.SBendtrans-115.4100.9-174.6-151163.1-149.500107.5N22 D27N22-E25 PolarHBondContact O-N 3.27Å; E25-D27 PolarHBondContact O-N 2.96Å
26I67.7Low70.8Confident20 Ų2091.5 Ų91.510%0.10346%0.457CS..  trans-63.6136.7178.7-68.1135000108V28 I31 S53 A126 E127I26-V28 PolarHBondContact O-N 3.43Å; I26-I31 HydrophobicContact CB-CD1 4.13Å; I26-I31 HydrophobicContact CG2-CD1 3.86Å; I26-I31 HydrophobicContact CG2-CG1 3.76Å; I26-S53 VanDerWaalsContact CD1-C 3.47Å; I26-S53 WeakPolarHBondContact CD1-O 3.4Å; I26-A126 HydrophobicContact CD1-CB 3.34Å; I26-A126 HydrophobicContact CG1-CB 3.96Å; I26-E127 HydrophobicContact CB-CG 4.46Å; I26-E127 HydrophobicContact CG1-CG 4.13Å; I26-E127 HydrophobicContact CG2-CG 4.05Å
27D75.9Confident72.1Confident86 Ų8689.6 Ų89.646%0.4644%0.442SS..  trans-49.4113.7176.5-87.1-22.9000110.6E25 K29 I30 I31E25-D27 PolarHBondContact O-N 2.96Å; D27-K29 PolarHBondContact O-N 3.13Å; D27-I30 HydrophobicContact CB-CB 4.4Å; D27-I30 HydrophobicContact CB-CD1 3.85Å; D27-I30 HydrophobicContact CB-CG1 3.82Å; D27-I30 WeakPolarHBondContact O-CB 3.44Å; D27-I30 PolarHBondContact O-N 3.4Å; D27-I31 PolarHBondContact O-N 2.99Å
28V83.8Confident73.6Confident63 Ų6384.7 Ų84.738%0.38242%0.417SS..Hα-helixtrans-53.6-29.5178-179.30000110.6I26 I31 K32I26-V28 PolarHBondContact O-N 3.43Å; V28-I31 PolarHBondContact O-N 2.87Å; V28-K32 HydrophobicContact CG1-CD 4.23Å; V28-K32 HydrophobicContact CG1-CG 4.37Å; V28-K32 WeakPolarHBondContact O-CB 3.49Å; V28-K32 WeakPolarHBondContact O-CG 3.35Å; V28-K32 PolarHBondContact O-N 2.9Å
29K86.1Confident75.2Confident175 Ų17583.5 Ų83.576%0.76142%0.421SS*.Hα-helixtrans-61.3-42.5173.8-64.5-178.8-179.61780112.8D27 R33D27-K29 PolarHBondContact O-N 3.13Å; K29-R33 WeakPolarHBondContact O-CB 3.43Å; K29-R33 PolarHBondContact O-N 3.47Å
30I88.2Confident76.9Confident50 Ų5086.6 Ų86.626%0.25643%0.43SS..Hα-helixtrans-66.7-44.3178.3-60.4176.6000109.5D27 R33 T34 E127 N130D27-I30 HydrophobicContact CB-CB 4.4Å; D27-I30 HydrophobicContact CB-CD1 3.85Å; D27-I30 HydrophobicContact CB-CG1 3.82Å; D27-I30 WeakPolarHBondContact O-CB 3.44Å; D27-I30 PolarHBondContact O-N 3.4Å; I30-R33 PolarHBondContact O-N 3.45Å; I30-T34 PolarHBondContact O-N 3.42Å; I30-T34 PolarHBondContact O-OG1 2.94Å; I30-E127 HydrophobicContact CD1-CG 4.4Å; I30-N130 HydrophobicContact CG2-CB 3.78Å
31I88.5Confident78.4Confident4 Ų482.1 Ų82.12%0.02141%0.407CS..Hα-helixtrans-60.9-48.8178.7-64.4179.4000110.8I26 D27 V28 R33 T34 Q35 E49 L52I26-I31 HydrophobicContact CB-CD1 4.13Å; I26-I31 HydrophobicContact CG2-CD1 3.86Å; I26-I31 HydrophobicContact CG2-CG1 3.76Å; D27-I31 PolarHBondContact O-N 2.99Å; V28-I31 PolarHBondContact O-N 2.87Å; I31-R33 PolarHBondContact O-N 2.95Å; I31-T34 PolarHBondContact O-N 3.35Å; I31-Q35 HydrophobicContact CG2-CG 4.42Å; I31-Q35 WeakPolarHBondContact O-CG 3.34Å; I31-Q35 PolarHBondContact O-N 3.5Å; I31-E49 HydrophobicContact CD1-CG 3.95Å; I31-E49 HydrophobicContact CG2-CB 4.29Å; I31-E49 HydrophobicContact CG2-CG 4.21Å; I31-L52 HydrophobicContact CG1-CB 4.31Å; I31-L52 HydrophobicContact CG2-CB 3.99Å; I31-L52 HydrophobicContact CG2-CD1 3.76Å
32K89.9Confident80.4Confident117 Ų11773.1 Ų73.151%0.50937%0.373SS..Hα-helixtrans-59.2-45176.9-75-179.4177.1-1750111.8V28 T34 Q35 E36V28-K32 HydrophobicContact CG1-CD 4.23Å; V28-K32 HydrophobicContact CG1-CG 4.37Å; V28-K32 WeakPolarHBondContact O-CB 3.49Å; V28-K32 WeakPolarHBondContact O-CG 3.35Å; V28-K32 PolarHBondContact O-N 2.9Å; K32-T34 VanDerWaalsContact C-N 3.34Å; K32-T34 PolarHBondContact O-N 3.38Å; K32-Q35 WeakPolarHBondContact O-CB 3.42Å; K32-Q35 PolarHBondContact O-N 3.19Å; K32-Q35 VanDerWaalsContact O-N 3.17Å; K32-E36 WeakPolarHBondContact O-CG 3.44Å; K32-E36 PolarHBondContact O-N 2.89Å
33R91Very high82.1Confident136 Ų13679.6 Ų79.651%0.51340%0.399SS..Hα-helixtrans-57.4-45.5176-174-178.5-179.4176.11111.8K29 I30 I31 E36 T37 Y134K29-R33 WeakPolarHBondContact O-CB 3.43Å; K29-R33 PolarHBondContact O-N 3.47Å; I30-R33 PolarHBondContact O-N 3.45Å; I31-R33 PolarHBondContact O-N 2.95Å; R33-E36 PolarHBondContact O-N 3.41Å; R33-T37 PolarHBondContact O-N 3.46Å; R33-T37 VanDerWaalsContact O-N 3.13Å; R33-T37 PolarHBondContact O-OG1 3.18Å; R33-T37 VanDerWaalsContact O-OG1 3.12Å; R33-Y134 HydrophobicContact CG-CD2 3.86Å; R33-Y134 HydrophobicContact CG-CE2 3.84Å; R33-Y134 PolarHBondContact NH2-OH 2.92Å
34T90.2Very high83.8Confident1 Ų179.4 Ų79.41%0.00639%0.393CS..Hα-helixtrans-67.3-37.9177.3-58.30000112I30 I31 K32 T37 L38 L52 N130 L133I30-T34 PolarHBondContact O-N 3.42Å; I30-T34 PolarHBondContact O-OG1 2.94Å; I31-T34 PolarHBondContact O-N 3.35Å; K32-T34 VanDerWaalsContact C-N 3.34Å; K32-T34 PolarHBondContact O-N 3.38Å; T34-T37 PolarHBondContact O-OG1 3.49Å; T34-L38 HydrophobicContact CG2-CD1 3.83Å; T34-L38 HydrophobicContact CG2-CG 4.5Å; T34-L38 WeakPolarHBondContact O-CB 3.43Å; T34-L38 PolarHBondContact O-N 3.36Å; T34-L52 HydrophobicContact CG2-CD2 4.21Å; T34-N130 PolarHBondContact OG1-O 2.81Å; T34-L133 HydrophobicContact CG2-CB 4Å
35Q90.8Very high85.2Confident60 Ų6077.4 Ų77.428%0.2837%0.367SS..Hα-helixtrans-63-44175.1-75173.6-29.700112.1I31 K32 G39 L47 L52I31-Q35 HydrophobicContact CG2-CG 4.42Å; I31-Q35 WeakPolarHBondContact O-CG 3.34Å; I31-Q35 PolarHBondContact O-N 3.5Å; K32-Q35 WeakPolarHBondContact O-CB 3.42Å; K32-Q35 PolarHBondContact O-N 3.19Å; K32-Q35 VanDerWaalsContact O-N 3.17Å; Q35-G39 WeakPolarHBondContact O-CA 3.35Å; Q35-G39 PolarHBondContact O-N 3.24Å; Q35-L47 HydrophobicContact CG-CB 4.19Å; Q35-L47 PolarHBondContact NE2-O 2.98Å; Q35-L52 HydrophobicContact CG-CD1 3.57Å
36E91.3Very high86.7Confident126 Ų12676.4 Ų76.459%0.58937%0.369SS*.Hα-helixtrans-69.4-36.2-179.4-72.8172.3-162.800112.9K32 R33 K40K32-E36 WeakPolarHBondContact O-CG 3.44Å; K32-E36 PolarHBondContact O-N 2.89Å; R33-E36 PolarHBondContact O-N 3.41Å; E36-K40 VanDerWaalsContact O-CD 3.28Å; E36-K40 WeakPolarHBondContact O-CD 3.49Å; E36-K40 VanDerWaalsContact O-CE 3.29Å; E36-K40 WeakPolarHBondContact O-CE 3.46Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.29Å
37T89.9Confident87.7Confident25 Ų2576.5 Ų76.515%0.15337%0.37CS..Hα-helixtrans-80.3-50.5179.256.20000112.8R33 T34 Y134R33-T37 PolarHBondContact O-N 3.46Å; R33-T37 VanDerWaalsContact O-N 3.13Å; R33-T37 PolarHBondContact O-OG1 3.18Å; R33-T37 VanDerWaalsContact O-OG1 3.12Å; T34-T37 PolarHBondContact O-OG1 3.49Å; T37-Y134 HydrophobicContact CG2-CD2 3.86Å; T37-Y134 HydrophobicContact CG2-CE2 3.58Å
38L90.1Very high88.3Confident0 Ų075.2 Ų75.20%037%0.365CS..Hα-helixtrans-72.9-33.7178.9-79175.7000112.3T34 K40 I41 I42 L47 I63 V67 L133 A137T34-L38 HydrophobicContact CG2-CD1 3.83Å; T34-L38 HydrophobicContact CG2-CG 4.5Å; T34-L38 WeakPolarHBondContact O-CB 3.43Å; T34-L38 PolarHBondContact O-N 3.36Å; L38-K40 PolarHBondContact O-N 3.46Å; L38-I41 PolarHBondContact O-N 2.96Å; L38-I42 HydrophobicContact CB-CG1 4.45Å; L38-I42 WeakPolarHBondContact O-CG1 3.44Å; L38-I42 PolarHBondContact O-N 3.44Å; L38-L47 HydrophobicContact CB-CD1 3.67Å; L38-I63 HydrophobicContact CD1-CG2 4.35Å; L38-V67 HydrophobicContact CD2-CG2 4.4Å; L38-L133 HydrophobicContact CD1-CB 3.85Å; L38-L133 HydrophobicContact CD1-CD2 4.35Å; L38-L133 HydrophobicContact CD1-CG 4.47Å; L38-A137 HydrophobicContact CD2-CB 3.68Å; L38-A137 HydrophobicContact CG-CB 3.91Å
39G89Confident88.4Confident37 Ų3776.9 Ų76.938%0.38137%0.368SS..THydrogen-bonded Turntrans-63.5-22.818000000113.8Q35 I41Q35-G39 WeakPolarHBondContact O-CA 3.35Å; Q35-G39 PolarHBondContact O-N 3.24Å; G39-I41 VanDerWaalsContact C-N 3.32Å
40K87.5Confident88.5Confident174 Ų17477.1 Ų77.176%0.75737%0.369SS*.THydrogen-bonded Turntrans-71.4-26.1171.3-70.8170.4-172.5179.80112.9E36 L38E36-K40 VanDerWaalsContact O-CD 3.28Å; E36-K40 WeakPolarHBondContact O-CD 3.49Å; E36-K40 VanDerWaalsContact O-CE 3.29Å; E36-K40 WeakPolarHBondContact O-CE 3.46Å; E36-K40 VanDerWaalsContact O-CG 3.26Å; E36-K40 WeakPolarHBondContact O-CG 3.29Å; L38-K40 PolarHBondContact O-N 3.46Å
41I87.6Confident88.6Confident27 Ų2777.5 Ų77.514%0.13837%0.371CS..THydrogen-bonded Turntrans-100-40.3-172-56164.6000111L38 G39 T71 A137 V140L38-I41 PolarHBondContact O-N 2.96Å; G39-I41 VanDerWaalsContact C-N 3.32Å; I41-T71 HydrophobicContact CG2-CG2 3.45Å; I41-T71 VanDerWaalsContact CG2-CG2 3.45Å; I41-A137 HydrophobicContact CD1-CB 3.78Å; I41-V140 HydrophobicContact CD1-CB 3.88Å; I41-V140 HydrophobicContact CD1-CG1 3.89Å; I41-V140 HydrophobicContact CD1-CG2 4.33Å; I41-V140 HydrophobicContact CG1-CG1 4.22Å; I41-V140 HydrophobicContact CG2-CG1 4.14Å
42I89.5Confident88.6Confident5 Ų577.3 Ų77.33%0.02637%0.371CS..  trans-126.3133.8-175.258.2164.8000111.9L38 L47 I63 S66 V67L38-I42 HydrophobicContact CB-CG1 4.45Å; L38-I42 WeakPolarHBondContact O-CG1 3.44Å; L38-I42 PolarHBondContact O-N 3.44Å; I42-L47 HydrophobicContact CD1-CD2 4.44Å; I42-I63 HydrophobicContact CD1-CB 4.29Å; I42-I63 HydrophobicContact CD1-CG1 4.02Å; I42-I63 HydrophobicContact CD1-CG2 3.89Å; I42-S66 WeakPolarHBondContact CG2-OG 3.48Å; I42-V67 HydrophobicContact CG2-CG2 3.83Å
43K84.5Confident88.4Confident196 Ų19673.7 Ų73.785%0.85236%0.36SS*.  trans-95.7-18.9174-64.7-175.3179-178.30113.4
44K86.5Confident88.2Confident168 Ų16875 Ų7573%0.7337%0.365SS*.SBendtrans-137.3135.9-178.9-64.4-178.8178.9-179.90108.8S66K44-S66 WeakPolarHBondContact O-CB 3.47Å; K44-S66 PolarHBondContact O-OG 3.11Å
45P83.8Confident88.1Confident31 Ų3175.4 Ų75.420%0.20137%0.368CS..SBendcis-70.4163.2-4.230.8-36.1000113.4L47 F59 D62 I63P45-L47 PolarHBondContact O-N 3.29Å; P45-F59 HydrophobicContact CB-CD2 4.09Å; P45-F59 HydrophobicContact CB-CE2 4.04Å; P45-F59 HydrophobicContact CG-CD2 3.73Å; P45-F59 HydrophobicContact CG-CE2 3.68Å; P45-D62 HydrophobicContact CG-CB 4.03Å; P45-I63 HydrophobicContact CG-CG1 3.84Å
46V89.2Confident88.1Confident103 Ų10375.7 Ų75.762%0.62437%0.374SS*.  trans-69.8120.8-179.2-175.70000110.1T48V46-T48 VanDerWaalsContact C-N 3.3Å; V46-T48 HydrophobicContact CB-CG2 4.49Å; V46-T48 HydrophobicContact CG1-CG2 3.85Å; V46-T48 PolarHBondContact O-N 2.92Å
47L89.3Confident88.2Confident23 Ų2371.1 Ų71.112%0.1235%0.353CS..  trans-78.874.1-178.2-58.8177.9000111.1Q35 L38 I42 P45 L52 F59 I63Q35-L47 HydrophobicContact CG-CB 4.19Å; Q35-L47 PolarHBondContact NE2-O 2.98Å; L38-L47 HydrophobicContact CB-CD1 3.67Å; I42-L47 HydrophobicContact CD1-CD2 4.44Å; P45-L47 PolarHBondContact O-N 3.29Å; L47-L52 HydrophobicContact CB-CD1 4.45Å; L47-F59 HydrophobicContact CD2-CE2 4.36Å; L47-F59 HydrophobicContact CD2-CZ 3.86Å; L47-I63 HydrophobicContact CD2-CD1 4Å; L47-I63 HydrophobicContact CD2-CG1 4.39Å
48T88.4Confident88.3Confident58 Ų5875.7 Ų75.736%0.35637%0.367SS..  trans-82.1150.1175.863.40000111.8V46 K50 L51 L52V46-T48 VanDerWaalsContact C-N 3.3Å; V46-T48 HydrophobicContact CB-CG2 4.49Å; V46-T48 HydrophobicContact CG1-CG2 3.85Å; V46-T48 PolarHBondContact O-N 2.92Å; T48-K50 PolarHBondContact O-N 2.85Å; T48-L51 PolarHBondContact O-N 2.86Å; T48-L51 VanDerWaalsContact O-N 3.09Å; T48-L51 WeakPolarHBondContact OG1-CG 3.28Å; T48-L51 PolarHBondContact OG1-N 3.42Å; T48-L52 PolarHBondContact O-N 2.98Å; T48-L52 VanDerWaalsContact O-N 3.08Å
49E86.2Confident88.4Confident99 Ų9976.2 Ų76.246%0.46337%0.369SS..Hα-helixtrans-56.7-37.2175.9-179.7170.2-153.900112.1I31 L51 L52 S53I31-E49 HydrophobicContact CD1-CG 3.95Å; I31-E49 HydrophobicContact CG2-CB 4.29Å; I31-E49 HydrophobicContact CG2-CG 4.21Å; E49-L51 PolarHBondContact O-N 3.41Å; E49-L52 PolarHBondContact O-N 3.29Å; E49-S53 VanDerWaalsContact O-CB 3.3Å; E49-S53 WeakPolarHBondContact O-CB 3.29Å; E49-S53 PolarHBondContact O-N 3.46Å
50K86.6Confident88.7Confident180 Ų18074.5 Ų74.578%0.78335%0.352SS*.Hα-helixtrans-59.4-43.7175.7-65.5-175.4179.8179.70112.4T48 S53 R54T48-K50 PolarHBondContact O-N 2.85Å; K50-S53 PolarHBondContact O-N 3.18Å; K50-S53 PolarHBondContact O-OG 2.92Å; K50-R54 PolarHBondContact O-N 3.41Å
51L90.4Very high88.9Confident57 Ų5766.3 Ų66.330%0.29832%0.316SS..Hα-helixtrans-73.6-35.7179.6-69.3171.9000112.2T48 E49 S53 R54 P55 P56 F59T48-L51 PolarHBondContact O-N 2.86Å; T48-L51 VanDerWaalsContact O-N 3.09Å; T48-L51 WeakPolarHBondContact OG1-CG 3.28Å; T48-L51 PolarHBondContact OG1-N 3.42Å; E49-L51 PolarHBondContact O-N 3.41Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-R54 CarbonylContact O-C 3.59Å; L51-P55 WeakPolarHBondContact O-CA 3.45Å; L51-P55 WeakPolarHBondContact O-CB 3.34Å; L51-P56 HydrophobicContact CD2-CG 4.44Å; L51-F59 HydrophobicContact CB-CD1 4.22Å; L51-F59 HydrophobicContact CB-CD2 4.3Å; L51-F59 HydrophobicContact CB-CE1 3.88Å; L51-F59 HydrophobicContact CB-CE2 3.97Å; L51-F59 HydrophobicContact CB-CG 4.4Å; L51-F59 HydrophobicContact CB-CZ 3.72Å; L51-F59 HydrophobicContact CD1-CD2 3.83Å; L51-F59 HydrophobicContact CD1-CE2 3.64Å; L51-F59 HydrophobicContact CD1-CZ 4.25Å; L51-F59 HydrophobicContact CG-CD2 4.47Å; L51-F59 HydrophobicContact CG-CE2 4.38Å
52L88.2Confident89.2Confident0 Ų067.8 Ų67.80%032%0.324CS..Hα-helixtrans-75.5-19.5175.8-66.6171.3000112.6I31 T34 Q35 L47 T48 E49 F59 N130 L133I31-L52 HydrophobicContact CG1-CB 4.31Å; I31-L52 HydrophobicContact CG2-CB 3.99Å; I31-L52 HydrophobicContact CG2-CD1 3.76Å; T34-L52 HydrophobicContact CG2-CD2 4.21Å; Q35-L52 HydrophobicContact CG-CD1 3.57Å; L47-L52 HydrophobicContact CB-CD1 4.45Å; T48-L52 PolarHBondContact O-N 2.98Å; T48-L52 VanDerWaalsContact O-N 3.08Å; E49-L52 PolarHBondContact O-N 3.29Å; L52-F59 HydrophobicContact CD2-CE1 4.04Å; L52-F59 HydrophobicContact CD2-CZ 4.34Å; L52-N130 WeakPolarHBondContact CD2-OD1 3.36Å; L52-N130 PolarHBondContact O-ND2 3.05Å; L52-L133 HydrophobicContact CD2-CD1 4.04Å
53S87.1Confident89.4Confident41 Ų4167.5 Ų67.529%0.28732%0.323SS..Hα-helixtrans-72.5-38174.7770000112.7I26 E49 K50 L51 A126I26-S53 VanDerWaalsContact CD1-C 3.47Å; I26-S53 WeakPolarHBondContact CD1-O 3.4Å; E49-S53 VanDerWaalsContact O-CB 3.3Å; E49-S53 WeakPolarHBondContact O-CB 3.29Å; E49-S53 PolarHBondContact O-N 3.46Å; K50-S53 PolarHBondContact O-N 3.18Å; K50-S53 PolarHBondContact O-OG 2.92Å; L51-S53 VanDerWaalsContact C-N 3.28Å; S53-A126 WeakPolarHBondContact O-CB 3.38Å
54R86.4Confident89.7Confident165 Ų16558.2 Ų58.262%0.62328%0.283SS*.SBendtrans-144.873.8178.2-65.1-171.575.4865.1109.5K50 L51 P56 G123K50-R54 PolarHBondContact O-N 3.41Å; L51-R54 CarbonylContact O-C 3.59Å; R54-P56 WeakPolarHBondContact O-CD 3.44Å; R54-G123 PolarHBondContact NH2-O 3.46Å
55P87.6Confident89.9Confident9 Ų950.7 Ų50.76%0.05825%0.25CS..  trans-65.4114.4-170.824-32.9000111.6L51 F59 L60 T129L51-P55 WeakPolarHBondContact O-CA 3.45Å; L51-P55 WeakPolarHBondContact O-CB 3.34Å; P55-F59 HydrophobicContact CB-CD1 3.91Å; P55-F59 HydrophobicContact CB-CE1 4.38Å; P55-L60 HydrophobicContact CB-CD2 3.87Å; P55-L60 HydrophobicContact CB-CG 4.11Å; P55-L60 HydrophobicContact CG-CD2 4.4Å; P55-T129 HydrophobicContact CG-CG2 3.74Å
56P91.6Very high90.3Very high65 Ų6550.1 Ų50.142%0.42225%0.247SC..  trans-64.8150.9171.9-18.733.1000110.4L51 R54 R58 F59 L60L51-P56 HydrophobicContact CD2-CG 4.44Å; R54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-R58 PolarHBondContact O-N 2.87Å; P56-F59 WeakPolarHBondContact O-CB 3.43Å; P56-F59 PolarHBondContact O-N 3.38Å; P56-L60 PolarHBondContact O-N 3.37Å
57F93Very high90.4Very high30 Ų3045.2 Ų45.213%0.13222%0.218CC..Hα-helixtrans-54.2-40.4178.5176.4-92.8000112.9F59 L60 H61 V88 K94 F97 L98F57-F59 VanDerWaalsContact C-N 3.29Å; F57-F59 PolarHBondContact O-N 2.9Å; F57-L60 PolarHBondContact O-N 2.94Å; F57-H61 HydrophobicContact CE1-CB 4.22Å; F57-H61 HydrophobicContact CZ-CB 4.48Å; F57-H61 PolarHBondContact O-N 2.96Å; F57-V88 HydrophobicContact CE1-CB 4.19Å; F57-V88 HydrophobicContact CE1-CG1 3.78Å; F57-V88 HydrophobicContact CZ-CB 4.41Å; F57-V88 HydrophobicContact CZ-CG1 3.6Å; F57-K94 HydrophobicContact CB-CD 4.43Å; F57-K94 HydrophobicContact CD1-CD 3.98Å; F57-K94 HydrophobicContact CD1-CG 3.83Å; F57-K94 HydrophobicContact CD2-CB 3.93Å; F57-K94 HydrophobicContact CD2-CD 4.16Å; F57-K94 HydrophobicContact CD2-CG 3.84Å; F57-K94 HydrophobicContact CE1-CD 4.34Å; F57-K94 HydrophobicContact CE1-CG 3.69Å; F57-K94 HydrophobicContact CE2-CB 3.65Å; F57-K94 HydrophobicContact CE2-CD 4.49Å; F57-K94 HydrophobicContact CE2-CG 3.68Å; F57-K94 HydrophobicContact CG-CB 4.49Å; F57-K94 HydrophobicContact CG-CD 3.9Å; F57-K94 HydrophobicContact CG-CG 3.92Å; F57-K94 HydrophobicContact CZ-CB 4Å; F57-K94 HydrophobicContact CZ-CG 3.63Å; F57-F97 HydrophobicContact CE2-CD1 4.19Å; F57-F97 HydrophobicContact CZ-CD1 4.1Å; F57-F97 HydrophobicContact CZ-CG 4.43Å; F57-L98 HydrophobicContact CD2-CD1 4.27Å; F57-L98 HydrophobicContact CE2-CD1 4.28Å; F57-L98 HydrophobicContact CE2-CG 4.14Å
58R91.9Very high90.4Very high121 Ų12144.8 Ų44.846%0.45722%0.215SC..Hα-helixtrans-58.2-41.7178.1-176.660.6175.2-127.11111.9P56 H61 D62 A85 D86P56-R58 PolarHBondContact O-N 2.87Å; R58-H61 PolarHBondContact O-N 2.92Å; R58-D62 IonicContact NE-OD1 3.43Å; R58-D62 IonicContact NE-OD2 3.98Å; R58-D62 WeakPolarHBondContact O-CB 3.45Å; R58-D62 PolarHBondContact O-N 3.41Å; R58-A85 VanDerWaalsContact NE-CB 3.34Å; R58-D86 IonicContact CZ-OD1 3.77Å; R58-D86 IonicContact NH1-OD1 2.8Å; R58-D86 PolarHBondContact NH1-OD1 3.12Å; R58-D86 IonicContact NH2-OD1 2.8Å
59F93.4Very high90.5Very high11 Ų1151.3 Ų51.35%0.04823%0.233CC..Hα-helixtrans-64.5-42.6177.7175-110.9000112.1P45 L47 L51 L52 P55 P56 F57 D62 I63P45-F59 HydrophobicContact CB-CD2 4.09Å; P45-F59 HydrophobicContact CB-CE2 4.04Å; P45-F59 HydrophobicContact CG-CD2 3.73Å; P45-F59 HydrophobicContact CG-CE2 3.68Å; L47-F59 HydrophobicContact CD2-CE2 4.36Å; L47-F59 HydrophobicContact CD2-CZ 3.86Å; L51-F59 HydrophobicContact CB-CD1 4.22Å; L51-F59 HydrophobicContact CB-CD2 4.3Å; L51-F59 HydrophobicContact CB-CE1 3.88Å; L51-F59 HydrophobicContact CB-CE2 3.97Å; L51-F59 HydrophobicContact CB-CG 4.4Å; L51-F59 HydrophobicContact CB-CZ 3.72Å; L51-F59 HydrophobicContact CD1-CD2 3.83Å; L51-F59 HydrophobicContact CD1-CE2 3.64Å; L51-F59 HydrophobicContact CD1-CZ 4.25Å; L51-F59 HydrophobicContact CG-CD2 4.47Å; L51-F59 HydrophobicContact CG-CE2 4.38Å; L52-F59 HydrophobicContact CD2-CE1 4.04Å; L52-F59 HydrophobicContact CD2-CZ 4.34Å; P55-F59 HydrophobicContact CB-CD1 3.91Å; P55-F59 HydrophobicContact CB-CE1 4.38Å; P56-F59 WeakPolarHBondContact O-CB 3.43Å; P56-F59 PolarHBondContact O-N 3.38Å; F57-F59 VanDerWaalsContact C-N 3.29Å; F57-F59 PolarHBondContact O-N 2.9Å; F59-D62 PolarHBondContact O-N 3.35Å; F59-I63 HydrophobicContact CD1-CD1 3.87Å; F59-I63 HydrophobicContact CD2-CD1 4.33Å; F59-I63 HydrophobicContact CE1-CD1 3.43Å; F59-I63 VanDerWaalsContact CE1-CD1 3.43Å; F59-I63 HydrophobicContact CE2-CD1 3.94Å; F59-I63 HydrophobicContact CE2-CG1 4.39Å; F59-I63 HydrophobicContact CG-CD1 4.32Å; F59-I63 HydrophobicContact CZ-CD1 3.49Å; F59-I63 VanDerWaalsContact CZ-CD1 3.49Å; F59-I63 HydrophobicContact CZ-CG1 4.39Å; F59-I63 WeakPolarHBondContact O-CG1 3.49Å; F59-I63 PolarHBondContact O-N 3.45Å
60L93.3Very high90.6Very high2 Ų250.1 Ų50.11%0.0124%0.236CC..Hα-helixtrans-63.4-41.8175.9-64.3176.8000112P55 P56 F57 I63 C64 I120 T129 L133P55-L60 HydrophobicContact CB-CD2 3.87Å; P55-L60 HydrophobicContact CB-CG 4.11Å; P55-L60 HydrophobicContact CG-CD2 4.4Å; P56-L60 PolarHBondContact O-N 3.37Å; F57-L60 PolarHBondContact O-N 2.94Å; L60-I63 PolarHBondContact O-N 3.26Å; L60-C64 PolarHBondContact O-N 3.49Å; L60-C64 PolarHBondContact O-SG 3.35Å; L60-I120 HydrophobicContact CD1-CG2 3.5Å; L60-T129 HydrophobicContact CD1-CG2 4.06Å; L60-T129 HydrophobicContact CD2-CG2 3.9Å; L60-L133 HydrophobicContact CD2-CD1 3.94Å; L60-L133 HydrophobicContact CD2-CD2 4.09Å; L60-L133 HydrophobicContact CD2-CG 4.26Å
61H93.2Very high90.5Very high2 Ų243.9 Ų43.91%0.00921%0.213CC..Hα-helixtrans-64.2-44.5177.1-175.7-74.3000111.8F57 R58 I63 C64 T65 E82 L83 F97F57-H61 HydrophobicContact CE1-CB 4.22Å; F57-H61 HydrophobicContact CZ-CB 4.48Å; F57-H61 PolarHBondContact O-N 2.96Å; R58-H61 PolarHBondContact O-N 2.92Å; H61-I63 VanDerWaalsContact C-N 3.34Å; H61-I63 PolarHBondContact O-N 3.48Å; H61-C64 PolarHBondContact O-N 3.21Å; H61-T65 PolarHBondContact CE1-OG1 3.45Å; H61-T65 VanDerWaalsContact CE1-OG1 3.29Å; H61-T65 PolarHBondContact ND1-OG1 3.25Å; H61-T65 WeakPolarHBondContact O-CB 2.97Å; H61-T65 PolarHBondContact O-N 2.92Å; H61-T65 PolarHBondContact O-OG1 3.47Å; H61-E82 PolarHBondContact NE2-O 2.97Å; H61-L83 PolarHBondContact CE1-O 2.92Å; H61-F97 AromaticContact CD2-CE1 3.93Å; H61-F97 AromaticContact CD2-CE2 3.68Å; H61-F97 AromaticContact CD2-CZ 3.56Å; H61-F97 AromaticContact NE2-CE2 3.84Å
62D93.1Very high90.2Very high57 Ų5741.7 Ų41.731%0.30520%0.204SC..Hα-helixtrans-61.5-40.9176.6-68.5-21.5000111.3P45 R58 F59 S66P45-D62 HydrophobicContact CG-CB 4.03Å; R58-D62 IonicContact NE-OD1 3.43Å; R58-D62 IonicContact NE-OD2 3.98Å; R58-D62 WeakPolarHBondContact O-CB 3.45Å; R58-D62 PolarHBondContact O-N 3.41Å; F59-D62 PolarHBondContact O-N 3.35Å; D62-S66 WeakPolarHBondContact O-CB 3.42Å; D62-S66 PolarHBondContact O-N 2.99Å
63I93.2Very high89.7Confident0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-60.8-50.8173.9-72.1167.9000110.8L38 I42 P45 L47 F59 L60 H61 T65 S66 V67 L133L38-I63 HydrophobicContact CD1-CG2 4.35Å; I42-I63 HydrophobicContact CD1-CB 4.29Å; I42-I63 HydrophobicContact CD1-CG1 4.02Å; I42-I63 HydrophobicContact CD1-CG2 3.89Å; P45-I63 HydrophobicContact CG-CG1 3.84Å; L47-I63 HydrophobicContact CD2-CD1 4Å; L47-I63 HydrophobicContact CD2-CG1 4.39Å; F59-I63 HydrophobicContact CD1-CD1 3.87Å; F59-I63 HydrophobicContact CD2-CD1 4.33Å; F59-I63 HydrophobicContact CE1-CD1 3.43Å; F59-I63 VanDerWaalsContact CE1-CD1 3.43Å; F59-I63 HydrophobicContact CE2-CD1 3.94Å; F59-I63 HydrophobicContact CE2-CG1 4.39Å; F59-I63 HydrophobicContact CG-CD1 4.32Å; F59-I63 HydrophobicContact CZ-CD1 3.49Å; F59-I63 VanDerWaalsContact CZ-CD1 3.49Å; F59-I63 HydrophobicContact CZ-CG1 4.39Å; F59-I63 WeakPolarHBondContact O-CG1 3.49Å; F59-I63 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.26Å; H61-I63 VanDerWaalsContact C-N 3.34Å; H61-I63 PolarHBondContact O-N 3.48Å; I63-T65 PolarHBondContact O-N 3Å; I63-S66 WeakPolarHBondContact O-CB 3.35Å; I63-S66 PolarHBondContact O-N 2.85Å; I63-V67 HydrophobicContact CG2-CG2 4.4Å; I63-V67 WeakPolarHBondContact O-CG2 3.46Å; I63-V67 PolarHBondContact O-N 3.3Å; I63-L133 HydrophobicContact CD1-CD1 4.28Å; I63-L133 HydrophobicContact CD1-CD2 4.39Å; I63-L133 HydrophobicContact CG2-CD2 4.03Å
64C91.7Very high89.4Confident1 Ų140 Ų401%0.00719%0.192CC..Hα-helixtrans-59.7-47.5-178.9-660000111.1L60 H61 S66 V67 I68 F97 L101L60-C64 PolarHBondContact O-N 3.49Å; L60-C64 PolarHBondContact O-SG 3.35Å; H61-C64 PolarHBondContact O-N 3.21Å; C64-S66 VanDerWaalsContact C-N 3.31Å; C64-S66 PolarHBondContact O-N 3.33Å; C64-V67 PolarHBondContact O-N 3.25Å; C64-I68 WeakPolarHBondContact O-CD1 3.28Å; C64-I68 VanDerWaalsContact O-CG1 3.24Å; C64-I68 WeakPolarHBondContact O-CG1 3.48Å; C64-I68 PolarHBondContact O-N 3.06Å; C64-F97 HydrophobicContact CB-CE1 4.37Å; C64-F97 HydrophobicContact CB-CZ 4.02Å; C64-L101 VanDerWaalsContact SG-CD2 3.6Å
65T91Very high89.1Confident9 Ų938.8 Ų38.86%0.05519%0.191CC..Hα-helixtrans-62.8-38.5178.3-55.70000111.7H61 I63 I68 R69H61-T65 PolarHBondContact CE1-OG1 3.45Å; H61-T65 VanDerWaalsContact CE1-OG1 3.29Å; H61-T65 PolarHBondContact ND1-OG1 3.25Å; H61-T65 WeakPolarHBondContact O-CB 2.97Å; H61-T65 PolarHBondContact O-N 2.92Å; H61-T65 PolarHBondContact O-OG1 3.47Å; I63-T65 PolarHBondContact O-N 3Å; T65-I68 PolarHBondContact O-N 3.47Å; T65-R69 VanDerWaalsContact O-CG 3.3Å; T65-R69 WeakPolarHBondContact O-CG 3.49Å; T65-R69 PolarHBondContact O-N 3.29Å
66S91.3Very high88.8Confident20 Ų2041.1 Ų41.114%0.1422%0.217CC..Hα-helixtrans-65.2-44175.5-1670000111.9I42 K44 D62 I63 C64 I68 R69 S70I42-S66 WeakPolarHBondContact CG2-OG 3.48Å; K44-S66 WeakPolarHBondContact O-CB 3.47Å; K44-S66 PolarHBondContact O-OG 3.11Å; D62-S66 WeakPolarHBondContact O-CB 3.42Å; D62-S66 PolarHBondContact O-N 2.99Å; I63-S66 WeakPolarHBondContact O-CB 3.35Å; I63-S66 PolarHBondContact O-N 2.85Å; C64-S66 VanDerWaalsContact C-N 3.31Å; C64-S66 PolarHBondContact O-N 3.33Å; S66-I68 PolarHBondContact O-N 2.97Å; S66-R69 PolarHBondContact O-N 3.4Å; S66-S70 PolarHBondContact O-N 2.75Å; S66-S70 PolarHBondContact O-OG 3.25Å
67V90.7Very high88.5Confident0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-60.9-45175.3171.10000111.1L38 I42 I63 C64 R69 S70 T71 M74 L136 V140L38-V67 HydrophobicContact CD2-CG2 4.4Å; I42-V67 HydrophobicContact CG2-CG2 3.83Å; I63-V67 HydrophobicContact CG2-CG2 4.4Å; I63-V67 WeakPolarHBondContact O-CG2 3.46Å; I63-V67 PolarHBondContact O-N 3.3Å; C64-V67 PolarHBondContact O-N 3.25Å; V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.98Å; V67-S70 PolarHBondContact O-N 3.35Å; V67-T71 HydrophobicContact CG1-CG2 4.39Å; V67-T71 WeakPolarHBondContact O-CB 3.38Å; V67-T71 PolarHBondContact O-N 3.04Å; V67-T71 PolarHBondContact O-OG1 2.84Å; V67-M74 HydrophobicContact CG1-CE 4.41Å; V67-L136 HydrophobicContact CG1-CD1 4.37Å; V67-L136 HydrophobicContact CG1-CG 4.42Å; V67-L136 HydrophobicContact CG2-CD2 4.22Å; V67-V140 HydrophobicContact CG1-CG2 3.81Å
68I90.5Very high88.3Confident13 Ų1337.2 Ų37.27%0.06719%0.193CC..Hα-helixtrans-59.9-42.2177.4-65.6163000110.9C64 T65 S66 G72 L73 M74 K75 F78 L83C64-I68 WeakPolarHBondContact O-CD1 3.28Å; C64-I68 VanDerWaalsContact O-CG1 3.24Å; C64-I68 WeakPolarHBondContact O-CG1 3.48Å; C64-I68 PolarHBondContact O-N 3.06Å; T65-I68 PolarHBondContact O-N 3.47Å; S66-I68 PolarHBondContact O-N 2.97Å; I68-G72 VanDerWaalsContact O-CA 3.29Å; I68-G72 WeakPolarHBondContact O-CA 3.4Å; I68-G72 PolarHBondContact O-N 3.48Å; I68-L73 WeakPolarHBondContact CG1-O 3.24Å; I68-M74 HydrophobicContact CD1-CE 4.39Å; I68-M74 HydrophobicContact CG1-CB 4.23Å; I68-M74 HydrophobicContact CG1-CE 3.88Å; I68-K75 HydrophobicContact CG2-CG 4.01Å; I68-F78 HydrophobicContact CD1-CD2 3.7Å; I68-F78 HydrophobicContact CD1-CE2 3.97Å; I68-L83 HydrophobicContact CD1-CD2 3.97Å
69R89.3Confident88.1Confident196 Ų19636.1 Ų36.174%0.7420%0.197SC*.Hα-helixtrans-68.1-43.7178.7-73.4175.3-174.8165.23.9112.6T65 S66 V67T65-R69 VanDerWaalsContact O-CG 3.3Å; T65-R69 WeakPolarHBondContact O-CG 3.49Å; T65-R69 PolarHBondContact O-N 3.29Å; S66-R69 PolarHBondContact O-N 3.4Å; V67-R69 VanDerWaalsContact C-N 3.31Å; V67-R69 PolarHBondContact O-N 2.98Å
70S88.5Confident87.8Confident74 Ų7440.5 Ų40.552%0.51723%0.228SC..Hα-helixtrans-75.4-40.3-176.8-64.50000113.5S66 V67S66-S70 PolarHBondContact O-N 2.75Å; S66-S70 PolarHBondContact O-OG 3.25Å; V67-S70 PolarHBondContact O-N 3.35Å
71T85.9Confident87.5Confident49 Ų4947.1 Ų47.130%0.30126%0.259SS..Hα-helixtrans-107-22.9-168.266.40000113I41 V67 L73 V140I41-T71 HydrophobicContact CG2-CG2 3.45Å; I41-T71 VanDerWaalsContact CG2-CG2 3.45Å; V67-T71 HydrophobicContact CG1-CG2 4.39Å; V67-T71 WeakPolarHBondContact O-CB 3.38Å; V67-T71 PolarHBondContact O-N 3.04Å; V67-T71 PolarHBondContact O-OG1 2.84Å; T71-L73 PolarHBondContact O-N 3.3Å; T71-L73 VanDerWaalsContact OG1-CB 3.29Å; T71-L73 WeakPolarHBondContact OG1-CB 3.08Å; T71-L73 PolarHBondContact OG1-N 3.33Å; T71-L73 VanDerWaalsContact OG1-N 3.12Å; T71-V140 HydrophobicContact CG2-CB 4.28Å; T71-V140 HydrophobicContact CG2-CG1 3.36Å; T71-V140 HydrophobicContact CG2-CG2 3.87Å
72G82.8Confident87.2Confident10 Ų1048.8 Ų48.810%0.10327%0.267CS..  trans732.5-169.100000115I68 K75 N146I68-G72 VanDerWaalsContact O-CA 3.29Å; I68-G72 WeakPolarHBondContact O-CA 3.4Å; I68-G72 PolarHBondContact O-N 3.48Å; G72-K75 WeakPolarHBondContact O-CG 3.39Å; G72-N146 PolarHBondContact O-ND2 2.96Å
73L78.7Confident87Confident6 Ų648.9 Ų48.93%0.03127%0.267CS..THydrogen-bonded Turntrans-66.2141173.9-155.4105000109.9I68 T71 K75 F104 L136 A139 V140 N146I68-L73 WeakPolarHBondContact CG1-O 3.24Å; T71-L73 PolarHBondContact O-N 3.3Å; T71-L73 VanDerWaalsContact OG1-CB 3.29Å; T71-L73 WeakPolarHBondContact OG1-CB 3.08Å; T71-L73 PolarHBondContact OG1-N 3.33Å; T71-L73 VanDerWaalsContact OG1-N 3.12Å; L73-K75 VanDerWaalsContact C-N 3.27Å; L73-K75 PolarHBondContact O-N 3.42Å; L73-F104 HydrophobicContact CD2-CE1 3.68Å; L73-F104 HydrophobicContact CD2-CZ 3.94Å; L73-F104 HydrophobicContact CG-CE1 4.38Å; L73-F104 HydrophobicContact CG-CZ 4.14Å; L73-L136 HydrophobicContact CD2-CD1 4.39Å; L73-A139 HydrophobicContact CD2-CB 4.25Å; L73-V140 HydrophobicContact CD2-CG2 4.16Å; L73-N146 WeakPolarHBondContact CA-OD1 3.32Å; L73-N146 VanDerWaalsContact CD1-OD1 3.28Å; L73-N146 WeakPolarHBondContact CD1-OD1 3.45Å; L73-N146 WeakPolarHBondContact CG-OD1 2.98Å
74M80.1Confident86.7Confident1 Ų154.5 Ų54.51%0.00529%0.293CS..THydrogen-bonded Turntrans64.616-177.9-51.1173-70.300116.3V67 I68 G76 L77 F78 L101 F104 L136V67-M74 HydrophobicContact CG1-CE 4.41Å; I68-M74 HydrophobicContact CD1-CE 4.39Å; I68-M74 HydrophobicContact CG1-CB 4.23Å; I68-M74 HydrophobicContact CG1-CE 3.88Å; M74-G76 PolarHBondContact O-N 3.23Å; M74-L77 HydrophobicContact CB-CB 4.27Å; M74-L77 HydrophobicContact CB-CD2 4.27Å; M74-L77 HydrophobicContact CG-CD2 4.31Å; M74-L77 WeakPolarHBondContact O-CB 3.29Å; M74-L77 PolarHBondContact O-N 2.96Å; M74-L77 VanDerWaalsContact O-N 3.16Å; M74-L77 HydrophobicContact SD-CD2 4.46Å; M74-F78 HydrophobicContact SD-CE2 4.37Å; M74-L101 HydrophobicContact CE-CD1 4.27Å; M74-L101 HydrophobicContact SD-CD1 3.66Å; M74-F104 HydrophobicContact CG-CD1 3.68Å; M74-F104 HydrophobicContact CG-CD2 4.23Å; M74-F104 HydrophobicContact CG-CE1 3.46Å; M74-F104 VanDerWaalsContact CG-CE1 3.46Å; M74-F104 HydrophobicContact CG-CE2 4.04Å; M74-F104 HydrophobicContact CG-CG 4.06Å; M74-F104 HydrophobicContact CG-CZ 3.66Å; M74-F104 HydrophobicContact SD-CD1 3.75Å; M74-F104 HydrophobicContact SD-CE1 3.96Å; M74-F104 HydrophobicContact SD-CG 4.35Å; M74-L136 HydrophobicContact CE-CD1 3.61Å; M74-L136 HydrophobicContact SD-CD1 4.15Å
75K79.9Confident86.4Confident138 Ų13855.1 Ų55.160%0.630%0.299SS*.THydrogen-bonded Turntrans-59.7125.9169.2-77.4177170.7170.40109.7I68 G72 L73I68-K75 HydrophobicContact CG2-CG 4.01Å; G72-K75 WeakPolarHBondContact O-CG 3.39Å; L73-K75 VanDerWaalsContact C-N 3.27Å; L73-K75 PolarHBondContact O-N 3.42Å
76G81.4Confident86.3Confident59 Ų5959.2 Ų59.261%0.60832%0.32SS*.THydrogen-bonded Turntrans92.9-8.1-177.600000115.7M74M74-G76 PolarHBondContact O-N 3.23Å
77L86.4Confident86.1Confident1 Ų161.6 Ų61.61%0.00533%0.331CS..THydrogen-bonded Turntrans-77.3-35.3175.9-174.863.9000112.7M74 K100 F104 V150 V153M74-L77 HydrophobicContact CB-CB 4.27Å; M74-L77 HydrophobicContact CB-CD2 4.27Å; M74-L77 HydrophobicContact CG-CD2 4.31Å; M74-L77 WeakPolarHBondContact O-CB 3.29Å; M74-L77 PolarHBondContact O-N 2.96Å; M74-L77 VanDerWaalsContact O-N 3.16Å; M74-L77 HydrophobicContact SD-CD2 4.46Å; L77-K100 HydrophobicContact CD2-CB 4.44Å; L77-K100 HydrophobicContact CG-CB 4.39Å; L77-F104 HydrophobicContact CD2-CB 3.78Å; L77-F104 HydrophobicContact CD2-CD2 4.25Å; L77-F104 HydrophobicContact CD2-CG 4.1Å; L77-V150 HydrophobicContact CB-CG1 4.28Å; L77-V150 HydrophobicContact CB-CG2 4.32Å; L77-V150 HydrophobicContact CD1-CG1 4.43Å; L77-V153 HydrophobicContact CD1-CB 4.17Å; L77-V153 HydrophobicContact CD1-CG1 3.72Å
78F89.1Confident85.9Confident12 Ų1261.9 Ų61.95%0.05333%0.333CS..SBendtrans-106.3140.4-179.2-60.5-73.9000110.6I68 M74 E82 L83 F97 K100 L101I68-F78 HydrophobicContact CD1-CD2 3.7Å; I68-F78 HydrophobicContact CD1-CE2 3.97Å; M74-F78 HydrophobicContact SD-CE2 4.37Å; F78-E82 WeakPolarHBondContact CA-OE2 3.28Å; F78-E82 HydrophobicContact CB-CB 4.24Å; F78-L83 HydrophobicContact CB-CD2 4.24Å; F78-L83 HydrophobicContact CB-CG 4.25Å; F78-F97 AromaticContact CD1-CD2 3.57Å; F78-F97 HydrophobicContact CD1-CD2 3.57Å; F78-F97 AromaticContact CD1-CE2 3.51Å; F78-F97 HydrophobicContact CD1-CE2 3.51Å; F78-F97 HydrophobicContact CD1-CZ 4.48Å; F78-F97 AromaticContact CE1-CD2 3.42Å; F78-F97 HydrophobicContact CE1-CD2 3.42Å; F78-F97 VanDerWaalsContact CE1-CD2 3.42Å; F78-F97 AromaticContact CE1-CE2 3.39Å; F78-F97 HydrophobicContact CE1-CE2 3.39Å; F78-F97 HydrophobicContact CE1-CG 4.07Å; F78-F97 HydrophobicContact CE1-CZ 4.01Å; F78-F97 HydrophobicContact CE2-CE2 4.42Å; F78-F97 HydrophobicContact CG-CE2 4.09Å; F78-F97 HydrophobicContact CZ-CD2 4.3Å; F78-F97 AromaticContact CZ-CE2 3.89Å; F78-F97 HydrophobicContact CZ-CE2 3.89Å; F78-F97 HydrophobicContact CZ-CZ 4.08Å; F78-K100 HydrophobicContact CD1-CD 4.15Å; F78-K100 HydrophobicContact CD1-CG 4.5Å; F78-K100 HydrophobicContact CE1-CB 3.8Å; F78-K100 HydrophobicContact CE1-CD 4.22Å; F78-K100 HydrophobicContact CE1-CG 4.09Å; F78-K100 HydrophobicContact CZ-CB 4.29Å; F78-L101 HydrophobicContact CZ-CB 4.43Å
79N87.4Confident85.8Confident98 Ų9868 Ų6852%0.52436%0.359SS..  trans-70158174.3-64.7-16.5000110.2E81 E82 L83N79-E81 PolarHBondContact O-N 3.45Å; N79-E82 HydrophobicContact CB-CB 4.48Å; N79-E82 HydrophobicContact CB-CG 4.12Å; N79-E82 PolarHBondContact N-OE2 2.75Å; N79-E82 WeakPolarHBondContact O-CB 3.46Å; N79-E82 PolarHBondContact O-N 3.3Å; N79-L83 PolarHBondContact O-N 3.18Å; N79-L83 VanDerWaalsContact O-N 3.12Å
80S86.4Confident85.9Confident102 Ų10262.6 Ų62.671%0.71335%0.345SS*.THydrogen-bonded Turntrans-55-37.1175.8-54.60000112.5E82 L83S80-E82 VanDerWaalsContact C-N 3.32Å; S80-E82 PolarHBondContact O-N 3.43Å; S80-L83 PolarHBondContact O-N 3Å
81E86.9Confident86Confident141 Ų14165 Ų6566%0.65935%0.346SS*.THydrogen-bonded Turntrans-68.5-28.3175.8-63.7177.6-170.200113.3N79 N87N79-E81 PolarHBondContact O-N 3.45Å; E81-N87 WeakPolarHBondContact O-CB 3.26Å; E81-N87 PolarHBondContact O-ND2 2.89Å
82E87.8Confident86.2Confident37 Ų3768.3 Ų68.317%0.17336%0.362CS..THydrogen-bonded Turntrans-83-22.8180-67175.3158.300112.1H61 F78 N79 S80 E84 K100H61-E82 PolarHBondContact NE2-O 2.97Å; F78-E82 WeakPolarHBondContact CA-OE2 3.28Å; F78-E82 HydrophobicContact CB-CB 4.24Å; N79-E82 HydrophobicContact CB-CB 4.48Å; N79-E82 HydrophobicContact CB-CG 4.12Å; N79-E82 PolarHBondContact N-OE2 2.75Å; N79-E82 WeakPolarHBondContact O-CB 3.46Å; N79-E82 PolarHBondContact O-N 3.3Å; S80-E82 VanDerWaalsContact C-N 3.32Å; S80-E82 PolarHBondContact O-N 3.43Å; E82-E84 PolarHBondContact O-N 2.92Å; E82-K100 WeakPolarHBondContact OE1-CE 3.31Å; E82-K100 IonicContact OE1-NZ 3.5Å; E82-K100 PolarHBondContact OE1-NZ 3.21Å; E82-K100 IonicContact OE2-NZ 3.95Å; E82-K100 PolarHBondContact OE2-NZ 2.93Å
83L87.3Confident86.7Confident59 Ų5972.9 Ų72.931%0.30938%0.379SS..SBendtrans-71.9-14174-72.3169000112.5H61 I68 F78 N79 S80H61-L83 PolarHBondContact CE1-O 2.92Å; I68-L83 HydrophobicContact CD1-CD2 3.97Å; F78-L83 HydrophobicContact CB-CD2 4.24Å; F78-L83 HydrophobicContact CB-CG 4.25Å; N79-L83 PolarHBondContact O-N 3.18Å; N79-L83 VanDerWaalsContact O-N 3.12Å; S80-L83 PolarHBondContact O-N 3Å
84E88.4Confident87.3Confident118 Ų11875.1 Ų75.155%0.55139%0.389SS*.SBendtrans-97.6116.2174.3-67.9-175.4178.300110.7E82 D86 N87E82-E84 PolarHBondContact O-N 2.92Å; E84-D86 PolarHBondContact O-N 3.13Å; E84-D86 VanDerWaalsContact O-N 3.08Å; E84-N87 PolarHBondContact O-N 3.48Å; E84-N87 VanDerWaalsContact O-N 3.17Å
85A85.6Confident87.9Confident14 Ų1476.9 Ų76.912%0.11640%0.398CS..THydrogen-bonded Turntrans-64.1-16.5-177.400000114.1R58R58-A85 VanDerWaalsContact NE-CB 3.34Å
86D87.4Confident88.5Confident95 Ų9572.4 Ų72.451%0.50839%0.386SS..THydrogen-bonded Turntrans-80.5-22179.4-65.9-20.3000113.1R58 E84 K89R58-D86 IonicContact CZ-OD1 3.77Å; R58-D86 IonicContact NH1-OD1 2.8Å; R58-D86 PolarHBondContact NH1-OD1 3.12Å; R58-D86 IonicContact NH2-OD1 2.8Å; E84-D86 PolarHBondContact O-N 3.13Å; E84-D86 VanDerWaalsContact O-N 3.08Å; D86-K89 WeakPolarHBondContact O-CD 3.45Å; D86-K89 WeakPolarHBondContact O-CE 3.05Å; D86-K89 WeakPolarHBondContact O-CG 3.19Å
87N87.4Confident89.1Confident70 Ų7069.7 Ų69.737%0.37436%0.358SS..THydrogen-bonded Turntrans-81.9-21.9174.8-82.6-4.9000112.8E81 E84 K89 K93E81-N87 WeakPolarHBondContact O-CB 3.26Å; E81-N87 PolarHBondContact O-ND2 2.89Å; E84-N87 PolarHBondContact O-N 3.48Å; E84-N87 VanDerWaalsContact O-N 3.17Å; N87-K89 PolarHBondContact O-N 3.46Å; N87-K93 WeakPolarHBondContact O-CD 3.27Å
88V87.3Confident89.4Confident6 Ų669.6 Ų69.64%0.03636%0.357CS..  trans-98.658.8-176.1-165.80000111.5F57 K93 K94F57-V88 HydrophobicContact CE1-CB 4.19Å; F57-V88 HydrophobicContact CE1-CG1 3.78Å; F57-V88 HydrophobicContact CZ-CB 4.41Å; F57-V88 HydrophobicContact CZ-CG1 3.6Å; V88-K93 HydrophobicContact CG1-CB 3.92Å; V88-K94 HydrophobicContact CG1-CG 4.04Å; V88-K94 WeakPolarHBondContact O-CE 3.47Å
89K87.3Confident89.6Confident142 Ų14273.1 Ų73.162%0.61737%0.374SS*.  trans-90.6-36.3178.8-71.4172.6179.9164.30113D86 N87 K94D86-K89 WeakPolarHBondContact O-CD 3.45Å; D86-K89 WeakPolarHBondContact O-CE 3.05Å; D86-K89 WeakPolarHBondContact O-CG 3.19Å; N87-K89 PolarHBondContact O-N 3.46Å; K89-K94 VanDerWaalsContact O-CE 3.26Å; K89-K94 WeakPolarHBondContact O-CE 3.4Å; K89-K94 PolarHBondContact O-NZ 3.43Å
90D91.2Very high89.8Confident82 Ų8269.2 Ų69.244%0.43935%0.352SS..SBendtrans-67.5145.2-175.7-54.9-51000112.2D92 K93 K94D90-D92 VanDerWaalsContact C-N 3.28Å; D90-D92 PolarHBondContact O-N 3.31Å; D90-K93 HydrophobicContact CB-CB 4.31Å; D90-K93 HydrophobicContact CB-CD 4.14Å; D90-K93 HydrophobicContact CB-CG 4.11Å; D90-K93 PolarHBondContact O-N 3.39Å; D90-K93 WeakPolarHBondContact OD2-CD 3.33Å; D90-K93 VanDerWaalsContact OD2-CE 3.24Å; D90-K93 WeakPolarHBondContact OD2-CE 3.46Å; D90-K93 IonicContact OD2-NZ 3.36Å; D90-K93 PolarHBondContact OD2-NZ 3.4Å; D90-K94 VanDerWaalsContact O-CG 3.31Å; D90-K94 WeakPolarHBondContact O-CG 3.35Å; D90-K94 PolarHBondContact O-N 3.37Å
91K90.4Very high90Very high125 Ų12564.4 Ų64.454%0.54332%0.319SS..Hα-helixtrans-57.2-43.1179.4-175.4-176.2173.6-170.50111.4K94 L95K91-K94 WeakPolarHBondContact O-CB 3.47Å; K91-K94 PolarHBondContact O-N 3.17Å; K91-L95 HydrophobicContact CG-CD1 4.42Å; K91-L95 WeakPolarHBondContact O-CG 3.47Å; K91-L95 PolarHBondContact O-N 2.91Å
92D91.8Very high90.3Very high119 Ų11958.2 Ų58.264%0.63629%0.291SS*.Hα-helixtrans-71.3-37.8-175.9-56-41000112D90 K94 L95 A96D90-D92 VanDerWaalsContact C-N 3.28Å; D90-D92 PolarHBondContact O-N 3.31Å; D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 2.9Å; D92-L95 PolarHBondContact O-N 3.14Å; D92-A96 WeakPolarHBondContact O-CB 3.19Å; D92-A96 PolarHBondContact O-N 3.3Å
93K91.9Very high90.4Very high106 Ų10658.6 Ų58.646%0.46129%0.294SS..Hα-helixtrans-64-38.5173-65.6179.5-179.2156.30111.8N87 V88 D90 A96 F97N87-K93 WeakPolarHBondContact O-CD 3.27Å; V88-K93 HydrophobicContact CG1-CB 3.92Å; D90-K93 HydrophobicContact CB-CB 4.31Å; D90-K93 HydrophobicContact CB-CD 4.14Å; D90-K93 HydrophobicContact CB-CG 4.11Å; D90-K93 PolarHBondContact O-N 3.39Å; D90-K93 WeakPolarHBondContact OD2-CD 3.33Å; D90-K93 VanDerWaalsContact OD2-CE 3.24Å; D90-K93 WeakPolarHBondContact OD2-CE 3.46Å; D90-K93 IonicContact OD2-NZ 3.36Å; D90-K93 PolarHBondContact OD2-NZ 3.4Å; K93-A96 PolarHBondContact O-N 3.38Å; K93-F97 WeakPolarHBondContact O-CB 3.34Å; K93-F97 PolarHBondContact O-N 3.01Å
94K92Very high90.5Very high53 Ų5355.8 Ų55.823%0.2328%0.279CS..Hα-helixtrans-62.8-43.6174.1-68.7173.5174.2157.30112F57 V88 K89 D90 K91 D92 L98 V121F57-K94 HydrophobicContact CB-CD 4.43Å; F57-K94 HydrophobicContact CD1-CD 3.98Å; F57-K94 HydrophobicContact CD1-CG 3.83Å; F57-K94 HydrophobicContact CD2-CB 3.93Å; F57-K94 HydrophobicContact CD2-CD 4.16Å; F57-K94 HydrophobicContact CD2-CG 3.84Å; F57-K94 HydrophobicContact CE1-CD 4.34Å; F57-K94 HydrophobicContact CE1-CG 3.69Å; F57-K94 HydrophobicContact CE2-CB 3.65Å; F57-K94 HydrophobicContact CE2-CD 4.49Å; F57-K94 HydrophobicContact CE2-CG 3.68Å; F57-K94 HydrophobicContact CG-CB 4.49Å; F57-K94 HydrophobicContact CG-CD 3.9Å; F57-K94 HydrophobicContact CG-CG 3.92Å; F57-K94 HydrophobicContact CZ-CB 4Å; F57-K94 HydrophobicContact CZ-CG 3.63Å; V88-K94 HydrophobicContact CG1-CG 4.04Å; V88-K94 WeakPolarHBondContact O-CE 3.47Å; K89-K94 VanDerWaalsContact O-CE 3.26Å; K89-K94 WeakPolarHBondContact O-CE 3.4Å; K89-K94 PolarHBondContact O-NZ 3.43Å; D90-K94 VanDerWaalsContact O-CG 3.31Å; D90-K94 WeakPolarHBondContact O-CG 3.35Å; D90-K94 PolarHBondContact O-N 3.37Å; K91-K94 WeakPolarHBondContact O-CB 3.47Å; K91-K94 PolarHBondContact O-N 3.17Å; D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 2.9Å; K94-L98 PolarHBondContact O-N 3.15Å; K94-L98 VanDerWaalsContact O-N 3.14Å; K94-V121 HydrophobicContact CB-CG2 4.2Å; K94-V121 HydrophobicContact CD-CG1 4.35Å
95L93Very high90.5Very high38 Ų3850.2 Ų50.220%0.19925%0.253CS..Hα-helixtrans-62.5-47.2175.6-68.3174.7000110.7K91 D92 F97 L98 Q99 I117 M118 V121K91-L95 HydrophobicContact CG-CD1 4.42Å; K91-L95 WeakPolarHBondContact O-CG 3.47Å; K91-L95 PolarHBondContact O-N 2.91Å; D92-L95 PolarHBondContact O-N 3.14Å; L95-F97 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-Q99 VanDerWaalsContact O-CB 3.31Å; L95-Q99 WeakPolarHBondContact O-CB 3.35Å; L95-Q99 PolarHBondContact O-N 3.28Å; L95-I117 HydrophobicContact CD2-CB 4.32Å; L95-I117 HydrophobicContact CD2-CG2 3.67Å; L95-M118 HydrophobicContact CD2-CG 4.04Å; L95-V121 HydrophobicContact CD2-CG2 4Å
96A92.3Very high90.8Very high43 Ų4351.5 Ų51.536%0.35526%0.259SS..Hα-helixtrans-61.7-43179.200000112.6D92 K93 Q99 K100D92-A96 WeakPolarHBondContact O-CB 3.19Å; D92-A96 PolarHBondContact O-N 3.3Å; K93-A96 PolarHBondContact O-N 3.38Å; A96-Q99 PolarHBondContact O-N 3.47Å; A96-K100 WeakPolarHBondContact O-CG 3.33Å; A96-K100 PolarHBondContact O-N 2.84Å
97F93.7Very high90.8Very high2 Ų248.7 Ų48.71%0.00925%0.245CC..Hα-helixtrans-59.8-51.5176.9179.4-92000111.8F57 H61 C64 F78 K93 L95 Q99 K100 L101F57-F97 HydrophobicContact CE2-CD1 4.19Å; F57-F97 HydrophobicContact CZ-CD1 4.1Å; F57-F97 HydrophobicContact CZ-CG 4.43Å; H61-F97 AromaticContact CD2-CE1 3.93Å; H61-F97 AromaticContact CD2-CE2 3.68Å; H61-F97 AromaticContact CD2-CZ 3.56Å; H61-F97 AromaticContact NE2-CE2 3.84Å; C64-F97 HydrophobicContact CB-CE1 4.37Å; C64-F97 HydrophobicContact CB-CZ 4.02Å; F78-F97 AromaticContact CD1-CD2 3.57Å; F78-F97 HydrophobicContact CD1-CD2 3.57Å; F78-F97 AromaticContact CD1-CE2 3.51Å; F78-F97 HydrophobicContact CD1-CE2 3.51Å; F78-F97 HydrophobicContact CD1-CZ 4.48Å; F78-F97 AromaticContact CE1-CD2 3.42Å; F78-F97 HydrophobicContact CE1-CD2 3.42Å; F78-F97 VanDerWaalsContact CE1-CD2 3.42Å; F78-F97 AromaticContact CE1-CE2 3.39Å; F78-F97 HydrophobicContact CE1-CE2 3.39Å; F78-F97 HydrophobicContact CE1-CG 4.07Å; F78-F97 HydrophobicContact CE1-CZ 4.01Å; F78-F97 HydrophobicContact CE2-CE2 4.42Å; F78-F97 HydrophobicContact CG-CE2 4.09Å; F78-F97 HydrophobicContact CZ-CD2 4.3Å; F78-F97 AromaticContact CZ-CE2 3.89Å; F78-F97 HydrophobicContact CZ-CE2 3.89Å; F78-F97 HydrophobicContact CZ-CZ 4.08Å; K93-F97 WeakPolarHBondContact O-CB 3.34Å; K93-F97 PolarHBondContact O-N 3.01Å; L95-F97 PolarHBondContact O-N 3.15Å; F97-Q99 VanDerWaalsContact C-N 3.32Å; F97-Q99 PolarHBondContact O-N 3.03Å; F97-K100 PolarHBondContact O-N 2.98Å; F97-L101 PolarHBondContact O-N 2.92Å
98L93.2Very high90.9Very high0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-67.4-32.7178.9-71.5174.1000112.2F57 K94 L95 L101 V102 I117 I120 V121F57-L98 HydrophobicContact CD2-CD1 4.27Å; F57-L98 HydrophobicContact CE2-CD1 4.28Å; F57-L98 HydrophobicContact CE2-CG 4.14Å; K94-L98 PolarHBondContact O-N 3.15Å; K94-L98 VanDerWaalsContact O-N 3.14Å; L95-L98 PolarHBondContact O-N 3.38Å; L98-L101 HydrophobicContact CD2-CD2 4.47Å; L98-L101 WeakPolarHBondContact O-CB 3.32Å; L98-L101 PolarHBondContact O-N 3.34Å; L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 3.08Å; L98-I117 HydrophobicContact CB-CG2 3.52Å; L98-I117 HydrophobicContact CD1-CG2 3.91Å; L98-I117 HydrophobicContact CG-CG2 4.37Å; L98-I120 HydrophobicContact CD1-CB 4.3Å; L98-I120 HydrophobicContact CD1-CG2 4.12Å; L98-V121 HydrophobicContact CD1-CG2 3.75Å
99Q92.6Very high90.8Very high85 Ų8546.7 Ų46.740%0.39723%0.234SC..Hα-helixtrans-62.2-46.7174-172.570.262.100110.5L95 A96 F97 L101 V102 D103 I117L95-Q99 VanDerWaalsContact O-CB 3.31Å; L95-Q99 WeakPolarHBondContact O-CB 3.35Å; L95-Q99 PolarHBondContact O-N 3.28Å; A96-Q99 PolarHBondContact O-N 3.47Å; F97-Q99 VanDerWaalsContact C-N 3.32Å; F97-Q99 PolarHBondContact O-N 3.03Å; Q99-L101 PolarHBondContact O-N 3.46Å; Q99-V102 PolarHBondContact O-N 3.29Å; Q99-D103 PolarHBondContact NE2-OD1 3.2Å; Q99-D103 WeakPolarHBondContact O-CB 3.34Å; Q99-D103 PolarHBondContact O-N 2.99Å; Q99-I117 VanDerWaalsContact CA-CD1 3.47Å; Q99-I117 HydrophobicContact CB-CD1 3.69Å; Q99-I117 VanDerWaalsContact CD-CD1 3.45Å; Q99-I117 HydrophobicContact CG-CD1 4.17Å
100K90.9Very high90.7Very high16 Ų1648 Ų487%0.0724%0.243CC..Hα-helixtrans-55.3-42.3175.9-40.7-144.8170.9158.30111.9L77 F78 E82 A96 F97 F104 R157L77-K100 HydrophobicContact CD2-CB 4.44Å; L77-K100 HydrophobicContact CG-CB 4.39Å; F78-K100 HydrophobicContact CD1-CD 4.15Å; F78-K100 HydrophobicContact CD1-CG 4.5Å; F78-K100 HydrophobicContact CE1-CB 3.8Å; F78-K100 HydrophobicContact CE1-CD 4.22Å; F78-K100 HydrophobicContact CE1-CG 4.09Å; F78-K100 HydrophobicContact CZ-CB 4.29Å; E82-K100 WeakPolarHBondContact OE1-CE 3.31Å; E82-K100 IonicContact OE1-NZ 3.5Å; E82-K100 PolarHBondContact OE1-NZ 3.21Å; E82-K100 IonicContact OE2-NZ 3.95Å; E82-K100 PolarHBondContact OE2-NZ 2.93Å; A96-K100 WeakPolarHBondContact O-CG 3.33Å; A96-K100 PolarHBondContact O-N 2.84Å; F97-K100 PolarHBondContact O-N 2.98Å; K100-F104 WeakPolarHBondContact O-CB 3.49Å; K100-F104 PolarHBondContact O-N 3.06Å; K100-R157 VanDerWaalsContact CA-NH2 3.33Å; K100-R157 VanDerWaalsContact CB-NH2 3.35Å
101L91.6Very high90.4Very high1 Ų153.4 Ų53.41%0.00526%0.257CS..Hα-helixtrans-65.7-47.4179.9-179.566.6000111.8C64 M74 F78 F97 L98 Q99 F104 L105 M132 L136C64-L101 VanDerWaalsContact SG-CD2 3.6Å; M74-L101 HydrophobicContact CE-CD1 4.27Å; M74-L101 HydrophobicContact SD-CD1 3.66Å; F78-L101 HydrophobicContact CZ-CB 4.43Å; F97-L101 PolarHBondContact O-N 2.92Å; L98-L101 HydrophobicContact CD2-CD2 4.47Å; L98-L101 WeakPolarHBondContact O-CB 3.32Å; L98-L101 PolarHBondContact O-N 3.34Å; Q99-L101 PolarHBondContact O-N 3.46Å; L101-F104 PolarHBondContact O-N 3.45Å; L101-L105 HydrophobicContact CD1-CD1 4.44Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.49Å; L101-M132 HydrophobicContact CD2-CE 3.99Å; L101-M132 HydrophobicContact CD2-SD 4.13Å; L101-L136 HydrophobicContact CD1-CD1 4.35Å
102V92.3Very high90.1Very high12 Ų1253.5 Ų53.57%0.07327%0.268CS..Hα-helixtrans-64.7-41.6178.9172.70000110.9L98 Q99 F104 L105 T106 I117 M132L98-V102 WeakPolarHBondContact O-CG2 3.47Å; L98-V102 PolarHBondContact O-N 3.08Å; Q99-V102 PolarHBondContact O-N 3.29Å; V102-F104 VanDerWaalsContact C-N 3.33Å; V102-F104 PolarHBondContact O-N 3.39Å; V102-L105 PolarHBondContact O-N 2.86Å; V102-T106 WeakPolarHBondContact O-CB 3.47Å; V102-T106 PolarHBondContact O-N 2.73Å; V102-T106 PolarHBondContact O-OG1 3.23Å; V102-I117 HydrophobicContact CG2-CG1 4.47Å; V102-M132 HydrophobicContact CG2-SD 3.96Å
103D90Very high89.8Confident44 Ų4448.7 Ų48.724%0.23524%0.242CC..Hα-helixtrans-59.2-46.9176.4-61.8-20000110.4Q99 L105 T106 V107 V153 R157Q99-D103 PolarHBondContact NE2-OD1 3.2Å; Q99-D103 WeakPolarHBondContact O-CB 3.34Å; Q99-D103 PolarHBondContact O-N 2.99Å; D103-L105 PolarHBondContact O-N 3.18Å; D103-T106 PolarHBondContact O-N 2.87Å; D103-V107 VanDerWaalsContact O-CG2 3.29Å; D103-V107 WeakPolarHBondContact O-CG2 3.49Å; D103-V107 PolarHBondContact O-N 3.31Å; D103-V153 HydrophobicContact CB-CG1 3.83Å; D103-R157 IonicContact OD2-NH2 3.76Å
104F89.6Confident89.4Confident1 Ų147.2 Ų47.20%0.00424%0.244CC..Hα-helixtrans-59.5-47.6176.7176.6-94.3000112.6L73 M74 L77 K100 L101 V102 T106 V107 V108 V150 V153L73-F104 HydrophobicContact CD2-CE1 3.68Å; L73-F104 HydrophobicContact CD2-CZ 3.94Å; L73-F104 HydrophobicContact CG-CE1 4.38Å; L73-F104 HydrophobicContact CG-CZ 4.14Å; M74-F104 HydrophobicContact CG-CD1 3.68Å; M74-F104 HydrophobicContact CG-CD2 4.23Å; M74-F104 HydrophobicContact CG-CE1 3.46Å; M74-F104 VanDerWaalsContact CG-CE1 3.46Å; M74-F104 HydrophobicContact CG-CE2 4.04Å; M74-F104 HydrophobicContact CG-CG 4.06Å; M74-F104 HydrophobicContact CG-CZ 3.66Å; M74-F104 HydrophobicContact SD-CD1 3.75Å; M74-F104 HydrophobicContact SD-CE1 3.96Å; M74-F104 HydrophobicContact SD-CG 4.35Å; L77-F104 HydrophobicContact CD2-CB 3.78Å; L77-F104 HydrophobicContact CD2-CD2 4.25Å; L77-F104 HydrophobicContact CD2-CG 4.1Å; K100-F104 WeakPolarHBondContact O-CB 3.49Å; K100-F104 PolarHBondContact O-N 3.06Å; L101-F104 PolarHBondContact O-N 3.45Å; V102-F104 VanDerWaalsContact C-N 3.33Å; V102-F104 PolarHBondContact O-N 3.39Å; F104-T106 VanDerWaalsContact C-N 3.31Å; F104-T106 PolarHBondContact O-N 3.08Å; F104-V107 PolarHBondContact O-N 3Å; F104-V108 HydrophobicContact CD1-CG2 4.12Å; F104-V108 HydrophobicContact CE1-CG2 3.68Å; F104-V108 HydrophobicContact CE2-CG2 4.11Å; F104-V108 HydrophobicContact CZ-CG2 3.66Å; F104-V108 WeakPolarHBondContact O-CB 3.3Å; F104-V108 VanDerWaalsContact O-CG2 3.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.39Å; F104-V108 PolarHBondContact O-N 2.85Å; F104-V150 HydrophobicContact CD2-CG2 4.43Å; F104-V150 HydrophobicContact CE2-CG2 4.14Å; F104-V153 HydrophobicContact CB-CG2 4.12Å; F104-V153 HydrophobicContact CD2-CG2 4.34Å
105L90Very high89.3Confident0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-67.4-32.6179.4-66.4174000112.6L101 V102 D103 V108 H109 I113 M132 L136 A139L101-L105 HydrophobicContact CD1-CD1 4.44Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.49Å; V102-L105 PolarHBondContact O-N 2.86Å; D103-L105 PolarHBondContact O-N 3.18Å; L105-V108 PolarHBondContact O-N 3.48Å; L105-H109 PolarHBondContact O-CD2 3.42Å; L105-H109 PolarHBondContact O-N 2.98Å; L105-I113 HydrophobicContact CB-CD1 3.3Å; L105-I113 HydrophobicContact CD1-CD1 4.2Å; L105-I113 HydrophobicContact CG-CD1 4.4Å; L105-M132 HydrophobicContact CD1-CG 3.77Å; L105-L136 HydrophobicContact CD1-CB 4.39Å; L105-L136 HydrophobicContact CD2-CB 4.21Å; L105-L136 HydrophobicContact CD2-CD1 4.14Å; L105-A139 HydrophobicContact CD2-CB 4.32Å
106T90.5Very high89.2Confident41 Ų4151 Ų5125%0.25226%0.255SS..Hα-helixtrans-64.8-42.5175.4-58.70000110.8V102 D103 F104 E110V102-T106 WeakPolarHBondContact O-CB 3.47Å; V102-T106 PolarHBondContact O-N 2.73Å; V102-T106 PolarHBondContact O-OG1 3.23Å; D103-T106 PolarHBondContact O-N 2.87Å; F104-T106 VanDerWaalsContact C-N 3.31Å; F104-T106 PolarHBondContact O-N 3.08Å; T106-E110 WeakPolarHBondContact O-CA 3.4Å; T106-E110 PolarHBondContact O-N 2.99Å
107V88.6Confident89.2Confident36 Ų3649.8 Ų49.822%0.21824%0.243CC..Hα-helixtrans-69.7-35176.3177.40000111.6D103 F104 Y149 R152 V153D103-V107 VanDerWaalsContact O-CG2 3.29Å; D103-V107 WeakPolarHBondContact O-CG2 3.49Å; D103-V107 PolarHBondContact O-N 3.31Å; F104-V107 PolarHBondContact O-N 3Å; V107-Y149 HydrophobicContact CG1-CD1 3.78Å; V107-Y149 HydrophobicContact CG1-CE1 4.45Å; V107-Y149 WeakPolarHBondContact O-CE1 3.22Å; V107-R152 HydrophobicContact CG1-CB 4.3Å; V107-R152 HydrophobicContact CG1-CG 4.02Å; V107-V153 HydrophobicContact CB-CG2 4.2Å; V107-V153 HydrophobicContact CG2-CG2 3.88Å
108V88.2Confident89.2Confident12 Ų1255.9 Ų55.97%0.07327%0.273CS..Hα-helixtrans-69.2-43.7179.3157.20000113.2F104 L105 A139 I144 Y149F104-V108 HydrophobicContact CD1-CG2 4.12Å; F104-V108 HydrophobicContact CE1-CG2 3.68Å; F104-V108 HydrophobicContact CE2-CG2 4.11Å; F104-V108 HydrophobicContact CZ-CG2 3.66Å; F104-V108 WeakPolarHBondContact O-CB 3.3Å; F104-V108 VanDerWaalsContact O-CG2 3.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.39Å; F104-V108 PolarHBondContact O-N 2.85Å; L105-V108 PolarHBondContact O-N 3.48Å; V108-A139 HydrophobicContact CG1-CB 3.76Å; V108-I144 HydrophobicContact CB-CD1 4.22Å; V108-I144 HydrophobicContact CG1-CD1 3.21Å; V108-I144 HydrophobicContact CG2-CD1 4.14Å; V108-Y149 HydrophobicContact CB-CD1 4.23Å; V108-Y149 HydrophobicContact CB-CE1 4.42Å; V108-Y149 HydrophobicContact CG2-CD1 3.5Å; V108-Y149 VanDerWaalsContact CG2-CD1 3.5Å; V108-Y149 HydrophobicContact CG2-CE1 4.06Å; V108-Y149 HydrophobicContact CG2-CG 4.08Å
109H86.3Confident89.1Confident22 Ų2256.5 Ų56.510%0.10228%0.277CS..Hα-helixtrans-98.5-2.6-175-70.5-75.6000113.7L105 R111 L135 E138 K142L105-H109 PolarHBondContact O-CD2 3.42Å; L105-H109 PolarHBondContact O-N 2.98Å; H109-R111 WeakPolarHBondContact O-CG 3.39Å; H109-R111 PolarHBondContact O-N 3.26Å; H109-R111 VanDerWaalsContact O-N 3.08Å; H109-L135 PolarHBondContact NE2-O 3.24Å; H109-E138 IonicContact CE1-OE1 2.71Å; H109-K142 PolarHBondContact ND1-NZ 2.89Å; H109-K142 VanDerWaalsContact ND1-NZ 3.18Å
110E84.4Confident89Confident171 Ų17152.8 Ų52.880%0.79926%0.26SS*.THydrogen-bonded Turntrans52.828.7-175.9-58.3179.4170.700112.7T106T106-E110 WeakPolarHBondContact O-CA 3.4Å; T106-E110 PolarHBondContact O-N 2.99Å
111R84.5Confident89.1Confident194 Ų19454.1 Ų54.173%0.73227%0.27SS*.SBendtrans-134.1140.6-176.8-71.5175.8-171.5-128.7-0.1110H109 I113H109-R111 WeakPolarHBondContact O-CG 3.39Å; H109-R111 PolarHBondContact O-N 3.26Å; H109-R111 VanDerWaalsContact O-N 3.08Å; R111-I113 PolarHBondContact O-N 2.91Å
112T85Confident89Confident128 Ų12857 Ų5779%0.78529%0.294SS*.  trans-73.7123.1174.158.60000109.6P114T112-P114 WeakPolarHBondContact O-CD 3.43Å
113I85Confident88.7Confident18 Ų1857.6 Ų57.69%0.09230%0.302CS..  trans-84.3118.3178.6-58.8174000107.3L105 R111 V115 L135L105-I113 HydrophobicContact CB-CD1 3.3Å; L105-I113 HydrophobicContact CD1-CD1 4.2Å; L105-I113 HydrophobicContact CG-CD1 4.4Å; R111-I113 PolarHBondContact O-N 2.91Å; I113-V115 HydrophobicContact CG2-CB 4.01Å; I113-V115 HydrophobicContact CG2-CG2 3.51Å; I113-V115 PolarHBondContact O-N 3.39Å; I113-L135 HydrophobicContact CD1-CD1 3.73Å; I113-L135 HydrophobicContact CG1-CD1 3.78Å; I113-L135 HydrophobicContact CG2-CD1 4.32Å
114P84.6Confident88.6Confident75 Ų7562.1 Ų62.149%0.48732%0.32SS..  trans-77.139.8-170.232.5-37.6000113.9T112 K128T112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-K128 VanDerWaalsContact O-CD 3.28Å; P114-K128 WeakPolarHBondContact O-CD 3.28Å; P114-K128 WeakPolarHBondContact O-CE 3.37Å; P114-K128 PolarHBondContact O-NZ 3.05Å
115V88.9Confident88.5Confident17 Ų1764.4 Ų64.410%0.10333%0.331CS..  trans-99.8130.9-1731670000110.5I113 I120 K128 M132I113-V115 HydrophobicContact CG2-CB 4.01Å; I113-V115 HydrophobicContact CG2-CG2 3.51Å; I113-V115 PolarHBondContact O-N 3.39Å; V115-I120 HydrophobicContact CG1-CD1 3.1Å; V115-I120 HydrophobicContact CG1-CG1 3.83Å; V115-K128 HydrophobicContact CG2-CB 3.85Å; V115-K128 WeakPolarHBondContact CG2-O 3.46Å; V115-M132 HydrophobicContact CG2-CB 4.34Å
116R91.1Very high88.5Confident152 Ų15265 Ų6557%0.57434%0.335SS*.  trans-96.5111.8171.7-66.3-174.6-66.8170.7-5109.5M118 S119 I120 E125R116-M118 VanDerWaalsContact C-N 3.27Å; R116-M118 PolarHBondContact O-N 2.86Å; R116-S119 WeakPolarHBondContact CB-OG 3.39Å; R116-S119 PolarHBondContact NE-OG 2.87Å; R116-S119 WeakPolarHBondContact O-CA 3.41Å; R116-S119 VanDerWaalsContact O-CB 3.25Å; R116-S119 WeakPolarHBondContact O-CB 3.17Å; R116-S119 PolarHBondContact O-N 2.87Å; R116-I120 PolarHBondContact O-N 3.33Å; R116-I120 VanDerWaalsContact O-N 3.13Å; R116-E125 IonicContact CZ-OE1 3.71Å; R116-E125 IonicContact NE-OE1 2.78Å; R116-E125 PolarHBondContact NE-OE1 3.4Å; R116-E125 IonicContact NE-OE2 3.93Å; R116-E125 PolarHBondContact NE-OE2 3.37Å; R116-E125 IonicContact NH2-OE1 2.72Å; R116-E125 PolarHBondContact NH2-OE1 3.29Å; R116-E125 IonicContact NH2-OE2 3.36Å
117I93Very high88.4Confident18 Ų1867.5 Ų67.59%0.09234%0.344CS..Hα-helixtrans-59.8-39.8-176-55.3175.1000111.7L95 L98 Q99 V102 S119 I120 V121L95-I117 HydrophobicContact CD2-CB 4.32Å; L95-I117 HydrophobicContact CD2-CG2 3.67Å; L98-I117 HydrophobicContact CB-CG2 3.52Å; L98-I117 HydrophobicContact CD1-CG2 3.91Å; L98-I117 HydrophobicContact CG-CG2 4.37Å; Q99-I117 VanDerWaalsContact CA-CD1 3.47Å; Q99-I117 HydrophobicContact CB-CD1 3.69Å; Q99-I117 VanDerWaalsContact CD-CD1 3.45Å; Q99-I117 HydrophobicContact CG-CD1 4.17Å; V102-I117 HydrophobicContact CG2-CG1 4.47Å; I117-S119 PolarHBondContact O-N 3.04Å; I117-I120 PolarHBondContact O-N 3Å; I117-V121 PolarHBondContact O-N 3.36Å; I117-V121 VanDerWaalsContact O-N 3.08Å
118M92.7Very high88.5Confident130 Ų13068.8 Ų68.864%0.6435%0.347SS*.Hα-helixtrans-60-34.4174.2-63.7-178.478.400112.7L95 R116 A122L95-M118 HydrophobicContact CD2-CG 4.04Å; R116-M118 VanDerWaalsContact C-N 3.27Å; R116-M118 PolarHBondContact O-N 2.86Å; M118-A122 WeakPolarHBondContact O-CB 3.31Å; M118-A122 PolarHBondContact O-N 3.26Å
119S90.8Very high88.8Confident13 Ų1368.3 Ų68.39%0.09134%0.344CS..Hα-helixtrans-70-40.4176.3-62.20000111.7R116 I117 A122 G123 K124 E125R116-S119 WeakPolarHBondContact CB-OG 3.39Å; R116-S119 PolarHBondContact NE-OG 2.87Å; R116-S119 WeakPolarHBondContact O-CA 3.41Å; R116-S119 VanDerWaalsContact O-CB 3.25Å; R116-S119 WeakPolarHBondContact O-CB 3.17Å; R116-S119 PolarHBondContact O-N 2.87Å; I117-S119 PolarHBondContact O-N 3.04Å; S119-A122 CarbonylContact O-C 3.39Å; S119-A122 PolarHBondContact O-N 3.08Å; S119-G123 PolarHBondContact O-N 2.9Å; S119-K124 PolarHBondContact O-N 2.95Å; S119-E125 VanDerWaalsContact CB-OE2 3.24Å; S119-E125 WeakPolarHBondContact CB-OE2 3.39Å; S119-E125 PolarHBondContact OG-OE2 3.01Å
120I92Very high89.1Confident8 Ų867.2 Ų67.24%0.04134%0.339CS..Hα-helixtrans-62.2-49.4177.4-57.8170.2000110.5L60 L98 V115 R116 I117 A122 G123 T129 M132L60-I120 HydrophobicContact CD1-CG2 3.5Å; L98-I120 HydrophobicContact CD1-CB 4.3Å; L98-I120 HydrophobicContact CD1-CG2 4.12Å; V115-I120 HydrophobicContact CG1-CD1 3.1Å; V115-I120 HydrophobicContact CG1-CG1 3.83Å; R116-I120 PolarHBondContact O-N 3.33Å; R116-I120 VanDerWaalsContact O-N 3.13Å; I117-I120 PolarHBondContact O-N 3Å; I120-A122 PolarHBondContact O-N 2.83Å; I120-G123 WeakPolarHBondContact O-CA 3.34Å; I120-G123 PolarHBondContact O-N 2.96Å; I120-T129 HydrophobicContact CG2-CG2 4.06Å; I120-M132 HydrophobicContact CD1-SD 4.26Å
121V91.7Very high89.4Confident43 Ų4363.4 Ų63.426%0.26132%0.321SS..Hα-helixtrans-61.5-29.8179.5177.70000111.3K94 L95 L98 I117 G123K94-V121 HydrophobicContact CB-CG2 4.2Å; K94-V121 HydrophobicContact CD-CG1 4.35Å; L95-V121 HydrophobicContact CD2-CG2 4Å; L98-V121 HydrophobicContact CD1-CG2 3.75Å; I117-V121 PolarHBondContact O-N 3.36Å; I117-V121 VanDerWaalsContact O-N 3.08Å; V121-G123 VanDerWaalsContact C-N 3.29Å
122A89.7Confident89.7Confident63 Ų6354.2 Ų54.252%0.52129%0.287SS..THydrogen-bonded Turntrans-81.1-0.917400000114.4M118 S119 I120M118-A122 WeakPolarHBondContact O-CB 3.31Å; M118-A122 PolarHBondContact O-N 3.26Å; S119-A122 CarbonylContact O-C 3.39Å; S119-A122 PolarHBondContact O-N 3.08Å; I120-A122 PolarHBondContact O-N 2.83Å
123G87.4Confident90.1Very high24 Ų2448.2 Ų48.225%0.24725%0.249CC..THydrogen-bonded Turntrans69.633.3-17800000113.8R54 S119 I120 V121R54-G123 PolarHBondContact NH2-O 3.46Å; S119-G123 PolarHBondContact O-N 2.9Å; I120-G123 WeakPolarHBondContact O-CA 3.34Å; I120-G123 PolarHBondContact O-N 2.96Å; V121-G123 VanDerWaalsContact C-N 3.29Å
124K87.4Confident90.4Very high138 Ų13849.5 Ų49.560%0.625%0.253SS*.  trans-111.8163.9174.7-62.1-178-179.4179.50109.9S119S119-K124 PolarHBondContact O-N 2.95Å
125E86.6Confident90.8Very high50 Ų5047.1 Ų47.123%0.23424%0.237CC..  trans5848.5176.3-54.7-175.614600113.1R116 S119 E127 K128 T129R116-E125 IonicContact CZ-OE1 3.71Å; R116-E125 IonicContact NE-OE1 2.78Å; R116-E125 PolarHBondContact NE-OE1 3.4Å; R116-E125 IonicContact NE-OE2 3.93Å; R116-E125 PolarHBondContact NE-OE2 3.37Å; R116-E125 IonicContact NH2-OE1 2.72Å; R116-E125 PolarHBondContact NH2-OE1 3.29Å; R116-E125 IonicContact NH2-OE2 3.36Å; S119-E125 VanDerWaalsContact CB-OE2 3.24Å; S119-E125 WeakPolarHBondContact CB-OE2 3.39Å; S119-E125 PolarHBondContact OG-OE2 3.01Å; E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.16Å; E125-K128 HydrophobicContact CB-CB 4.37Å; E125-K128 HydrophobicContact CB-CD 4.11Å; E125-K128 HydrophobicContact CB-CG 4.34Å; E125-K128 HydrophobicContact CG-CD 4.43Å; E125-K128 PolarHBondContact O-N 2.88Å; E125-K128 IonicContact OE1-NZ 3.64Å; E125-K128 PolarHBondContact OE1-NZ 3.18Å; E125-K128 IonicContact OE2-NZ 2.81Å; E125-T129 PolarHBondContact O-N 3.41Å; E125-T129 VanDerWaalsContact O-N 3.07Å; E125-T129 PolarHBondContact O-OG1 2.94Å
126A89.5Confident90.9Very high12 Ų1246.4 Ų46.410%0.09923%0.232CC..Hα-helixtrans-62.6-32.4-179.700000113.1I26 S53 K128 T129 N130I26-A126 HydrophobicContact CD1-CB 3.34Å; I26-A126 HydrophobicContact CG1-CB 3.96Å; S53-A126 WeakPolarHBondContact O-CB 3.38Å; A126-K128 PolarHBondContact O-N 2.86Å; A126-T129 WeakPolarHBondContact O-CB 3.48Å; A126-T129 PolarHBondContact O-N 3.33Å; A126-T129 VanDerWaalsContact O-N 3.16Å; A126-N130 PolarHBondContact O-N 3.4Å; A126-N130 PolarHBondContact O-ND2 2.94Å; A126-N130 VanDerWaalsContact O-ND2 3.15Å
127E89.9Confident90.8Very high93 Ų9339.1 Ų39.144%0.43521%0.205SC..Hα-helixtrans-54.5-52.1172.5-69169.5-173.600112.1I26 I30 E125 T129 N130 E131I26-E127 HydrophobicContact CB-CG 4.46Å; I26-E127 HydrophobicContact CG1-CG 4.13Å; I26-E127 HydrophobicContact CG2-CG 4.05Å; I30-E127 HydrophobicContact CD1-CG 4.4Å; E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.16Å; E127-T129 VanDerWaalsContact C-N 3.27Å; E127-T129 PolarHBondContact O-N 3.34Å; E127-N130 WeakPolarHBondContact O-CB 3.43Å; E127-N130 PolarHBondContact O-N 3.23Å; E127-E131 PolarHBondContact O-N 2.97Å
128K90.9Very high90.7Very high63 Ų6340.8 Ų40.827%0.27421%0.212SC..Hα-helixtrans-66.6-31.8178-56.9-175.8173-176.80112.3P114 V115 E125 A126 E131 M132P114-K128 VanDerWaalsContact O-CD 3.28Å; P114-K128 WeakPolarHBondContact O-CD 3.28Å; P114-K128 WeakPolarHBondContact O-CE 3.37Å; P114-K128 PolarHBondContact O-NZ 3.05Å; V115-K128 HydrophobicContact CG2-CB 3.85Å; V115-K128 WeakPolarHBondContact CG2-O 3.46Å; E125-K128 HydrophobicContact CB-CB 4.37Å; E125-K128 HydrophobicContact CB-CD 4.11Å; E125-K128 HydrophobicContact CB-CG 4.34Å; E125-K128 HydrophobicContact CG-CD 4.43Å; E125-K128 PolarHBondContact O-N 2.88Å; E125-K128 IonicContact OE1-NZ 3.64Å; E125-K128 PolarHBondContact OE1-NZ 3.18Å; E125-K128 IonicContact OE2-NZ 2.81Å; A126-K128 PolarHBondContact O-N 2.86Å; K128-E131 WeakPolarHBondContact O-CB 3.29Å; K128-E131 PolarHBondContact O-N 3.17Å; K128-M132 PolarHBondContact O-N 3.12Å
129T92.8Very high90.4Very high2 Ų234.6 Ų34.61%0.01218%0.182CC..Hα-helixtrans-66.4-41.6174.4-50.50000110.5P55 L60 I120 E125 A126 E127 E131 M132 L133P55-T129 HydrophobicContact CG-CG2 3.74Å; L60-T129 HydrophobicContact CD1-CG2 4.06Å; L60-T129 HydrophobicContact CD2-CG2 3.9Å; I120-T129 HydrophobicContact CG2-CG2 4.06Å; E125-T129 PolarHBondContact O-N 3.41Å; E125-T129 VanDerWaalsContact O-N 3.07Å; E125-T129 PolarHBondContact O-OG1 2.94Å; A126-T129 WeakPolarHBondContact O-CB 3.48Å; A126-T129 PolarHBondContact O-N 3.33Å; A126-T129 VanDerWaalsContact O-N 3.16Å; E127-T129 VanDerWaalsContact C-N 3.27Å; E127-T129 PolarHBondContact O-N 3.34Å; T129-E131 VanDerWaalsContact C-N 3.34Å; T129-M132 HydrophobicContact CG2-CE 4.36Å; T129-M132 WeakPolarHBondContact O-CB 3.48Å; T129-M132 PolarHBondContact O-N 3.35Å; T129-L133 WeakPolarHBondContact O-CG 3.36Å; T129-L133 PolarHBondContact O-N 3.35Å
130N92.4Very high90.3Very high0 Ų035.1 Ų35.10%018%0.184CC..Hα-helixtrans-67.1-34.4174.8-72-39.2000112.1I30 T34 L52 A126 E127 L133 Y134I30-N130 HydrophobicContact CG2-CB 3.78Å; T34-N130 PolarHBondContact OG1-O 2.81Å; L52-N130 WeakPolarHBondContact CD2-OD1 3.36Å; L52-N130 PolarHBondContact O-ND2 3.05Å; A126-N130 PolarHBondContact O-N 3.4Å; A126-N130 PolarHBondContact O-ND2 2.94Å; A126-N130 VanDerWaalsContact O-ND2 3.15Å; E127-N130 WeakPolarHBondContact O-CB 3.43Å; E127-N130 PolarHBondContact O-N 3.23Å; N130-L133 PolarHBondContact O-N 2.94Å; N130-Y134 WeakPolarHBondContact O-CB 3.41Å; N130-Y134 PolarHBondContact O-N 3.34Å
131E90.7Very high90.1Very high90 Ų9039.5 Ų39.542%0.42121%0.208SC..Hα-helixtrans-62.5-47.3171.4-173.2179-170.400111.7E127 K128 T129 L133 Y134 L135E127-E131 PolarHBondContact O-N 2.97Å; K128-E131 WeakPolarHBondContact O-CB 3.29Å; K128-E131 PolarHBondContact O-N 3.17Å; T129-E131 VanDerWaalsContact C-N 3.34Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 2.81Å; E131-Y134 WeakPolarHBondContact O-CB 3.44Å; E131-Y134 PolarHBondContact O-N 2.65Å; E131-L135 WeakPolarHBondContact O-CG 3.24Å; E131-L135 PolarHBondContact O-N 3.36Å
132M92.7Very high89.6Confident2 Ų242.6 Ų42.61%0.0122%0.218CC..Hα-helixtrans-57.5-43.4173.4-178.3-166.272.700112L101 V102 L105 V115 I120 K128 T129 L135 L136L101-M132 HydrophobicContact CD2-CE 3.99Å; L101-M132 HydrophobicContact CD2-SD 4.13Å; V102-M132 HydrophobicContact CG2-SD 3.96Å; L105-M132 HydrophobicContact CD1-CG 3.77Å; V115-M132 HydrophobicContact CG2-CB 4.34Å; I120-M132 HydrophobicContact CD1-SD 4.26Å; K128-M132 PolarHBondContact O-N 3.12Å; T129-M132 HydrophobicContact CG2-CE 4.36Å; T129-M132 WeakPolarHBondContact O-CB 3.48Å; T129-M132 PolarHBondContact O-N 3.35Å; M132-L135 PolarHBondContact O-N 2.91Å; M132-L136 PolarHBondContact O-N 3.25Å
133L93.3Very high89.1Confident1 Ų148.4 Ų48.41%0.00523%0.231CC..Hα-helixtrans-64.6-38.9176.5-75.7-178.4000112.6T34 L38 L52 L60 I63 T129 N130 E131 L136 A137T34-L133 HydrophobicContact CG2-CB 4Å; L38-L133 HydrophobicContact CD1-CB 3.85Å; L38-L133 HydrophobicContact CD1-CD2 4.35Å; L38-L133 HydrophobicContact CD1-CG 4.47Å; L52-L133 HydrophobicContact CD2-CD1 4.04Å; L60-L133 HydrophobicContact CD2-CD1 3.94Å; L60-L133 HydrophobicContact CD2-CD2 4.09Å; L60-L133 HydrophobicContact CD2-CG 4.26Å; I63-L133 HydrophobicContact CD1-CD1 4.28Å; I63-L133 HydrophobicContact CD1-CD2 4.39Å; I63-L133 HydrophobicContact CG2-CD2 4.03Å; T129-L133 WeakPolarHBondContact O-CG 3.36Å; T129-L133 PolarHBondContact O-N 3.35Å; N130-L133 PolarHBondContact O-N 2.94Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 2.81Å; L133-L136 WeakPolarHBondContact O-CB 3.39Å; L133-L136 PolarHBondContact O-N 3.48Å; L133-A137 PolarHBondContact O-N 2.73Å
134Y91.3Very high88.4Confident45 Ų4548.3 Ų48.318%0.17623%0.225CC..Hα-helixtrans-64.4-44.3173.8170.4-87.5000111.4R33 T37 N130 E131 L136 A137 E138R33-Y134 HydrophobicContact CG-CD2 3.86Å; R33-Y134 HydrophobicContact CG-CE2 3.84Å; R33-Y134 PolarHBondContact NH2-OH 2.92Å; T37-Y134 HydrophobicContact CG2-CD2 3.86Å; T37-Y134 HydrophobicContact CG2-CE2 3.58Å; N130-Y134 WeakPolarHBondContact O-CB 3.41Å; N130-Y134 PolarHBondContact O-N 3.34Å; E131-Y134 WeakPolarHBondContact O-CB 3.44Å; E131-Y134 PolarHBondContact O-N 2.65Å; Y134-L136 PolarHBondContact O-N 3.22Å; Y134-A137 WeakPolarHBondContact O-CB 3.33Å; Y134-A137 PolarHBondContact O-N 3.05Å; Y134-E138 WeakPolarHBondContact CE1-OE2 3.29Å; Y134-E138 PolarHBondContact O-N 2.9Å
135L91.4Very high87.8Confident26 Ų2647 Ų4714%0.13623%0.225CC..Hα-helixtrans-61.5-34.1176.7-72174.7000112.3H109 I113 E131 M132 E138 A139H109-L135 PolarHBondContact NE2-O 3.24Å; I113-L135 HydrophobicContact CD1-CD1 3.73Å; I113-L135 HydrophobicContact CG1-CD1 3.78Å; I113-L135 HydrophobicContact CG2-CD1 4.32Å; E131-L135 WeakPolarHBondContact O-CG 3.24Å; E131-L135 PolarHBondContact O-N 3.36Å; M132-L135 PolarHBondContact O-N 2.91Å; L135-E138 PolarHBondContact O-N 3.41Å; L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.4Å
136L90.9Very high87.3Confident1 Ų147.1 Ų47.11%0.00523%0.227CC..Hα-helixtrans-63.9-43.2172.3179.263.5000111.8V67 L73 M74 L101 L105 M132 L133 Y134 E138 A139 V140V67-L136 HydrophobicContact CG1-CD1 4.37Å; V67-L136 HydrophobicContact CG1-CG 4.42Å; V67-L136 HydrophobicContact CG2-CD2 4.22Å; L73-L136 HydrophobicContact CD2-CD1 4.39Å; M74-L136 HydrophobicContact CE-CD1 3.61Å; M74-L136 HydrophobicContact SD-CD1 4.15Å; L101-L136 HydrophobicContact CD1-CD1 4.35Å; L105-L136 HydrophobicContact CD1-CB 4.39Å; L105-L136 HydrophobicContact CD2-CB 4.21Å; L105-L136 HydrophobicContact CD2-CD1 4.14Å; M132-L136 PolarHBondContact O-N 3.25Å; L133-L136 WeakPolarHBondContact O-CB 3.39Å; L133-L136 PolarHBondContact O-N 3.48Å; Y134-L136 PolarHBondContact O-N 3.22Å; L136-E138 VanDerWaalsContact C-N 3.35Å; L136-A139 PolarHBondContact O-N 3.03Å; L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 2.83Å
137A90.5Very high86.8Confident0 Ų054.7 Ų54.70%026%0.26CS..Hα-helixtrans-64.4-40.417500000112.1L38 I41 L133 Y134 V140 N141L38-A137 HydrophobicContact CD2-CB 3.68Å; L38-A137 HydrophobicContact CG-CB 3.91Å; I41-A137 HydrophobicContact CD1-CB 3.78Å; L133-A137 PolarHBondContact O-N 2.73Å; Y134-A137 WeakPolarHBondContact O-CB 3.33Å; Y134-A137 PolarHBondContact O-N 3.05Å; A137-V140 WeakPolarHBondContact O-CB 3.36Å; A137-V140 PolarHBondContact O-N 3.15Å; A137-N141 PolarHBondContact O-N 3.46Å; A137-N141 VanDerWaalsContact O-N 3.14Å; A137-N141 PolarHBondContact O-ND2 3.26Å
138E89.3Confident86.3Confident53 Ų5355 Ų5525%0.24826%0.261CS..Hα-helixtrans-64.7-39.4177.5-167.2-176.9143.400111.8H109 Y134 L135 L136 V140 N141 K142H109-E138 IonicContact CE1-OE1 2.71Å; Y134-E138 WeakPolarHBondContact CE1-OE2 3.29Å; Y134-E138 PolarHBondContact O-N 2.9Å; L135-E138 PolarHBondContact O-N 3.41Å; L136-E138 VanDerWaalsContact C-N 3.35Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.4Å; E138-N141 PolarHBondContact O-N 3.07Å; E138-N141 VanDerWaalsContact O-N 3.15Å; E138-K142 WeakPolarHBondContact O-CG 3.26Å; E138-K142 PolarHBondContact O-N 3.49Å; E138-K142 WeakPolarHBondContact OE1-CE 3.39Å; E138-K142 IonicContact OE1-NZ 3.17Å; E138-K142 PolarHBondContact OE1-NZ 3.45Å
139A88.1Confident85.9Confident0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-59.4-38.817500000112.4L73 L105 V108 L135 L136 I144L73-A139 HydrophobicContact CD2-CB 4.25Å; L105-A139 HydrophobicContact CD2-CB 4.32Å; V108-A139 HydrophobicContact CG1-CB 3.76Å; L135-A139 WeakPolarHBondContact O-CB 3.49Å; L135-A139 PolarHBondContact O-N 3.4Å; L136-A139 PolarHBondContact O-N 3.03Å; A139-I144 HydrophobicContact CB-CD1 4.25Å
140V88.5Confident85.4Confident23 Ų2354.4 Ų54.414%0.13926%0.259CS..Hα-helixtrans-64.5-45.3174.3171.50000111I41 V67 T71 L73 L136 A137 E138 K142 K143I41-V140 HydrophobicContact CD1-CB 3.88Å; I41-V140 HydrophobicContact CD1-CG1 3.89Å; I41-V140 HydrophobicContact CD1-CG2 4.33Å; I41-V140 HydrophobicContact CG1-CG1 4.22Å; I41-V140 HydrophobicContact CG2-CG1 4.14Å; V67-V140 HydrophobicContact CG1-CG2 3.81Å; T71-V140 HydrophobicContact CG2-CB 4.28Å; T71-V140 HydrophobicContact CG2-CG1 3.36Å; T71-V140 HydrophobicContact CG2-CG2 3.87Å; L73-V140 HydrophobicContact CD2-CG2 4.16Å; L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 2.83Å; A137-V140 WeakPolarHBondContact O-CB 3.36Å; A137-V140 PolarHBondContact O-N 3.15Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.4Å; V140-K142 VanDerWaalsContact C-N 3.29Å; V140-K142 PolarHBondContact O-N 3.14Å; V140-K143 PolarHBondContact O-N 2.86Å; V140-K143 VanDerWaalsContact O-N 3.15Å
141N86.3Confident84.9Confident101 Ų10156.2 Ų56.254%0.5427%0.274SS..Hα-helixtrans-65.9-31.3-178.4-70.3-29.1000112.9A137 E138 K143A137-N141 PolarHBondContact O-N 3.46Å; A137-N141 VanDerWaalsContact O-N 3.14Å; A137-N141 PolarHBondContact O-ND2 3.26Å; E138-N141 PolarHBondContact O-N 3.07Å; E138-N141 VanDerWaalsContact O-N 3.15Å; N141-K143 PolarHBondContact O-N 3.2Å
142K82.6Confident84.4Confident108 Ų10856.6 Ų56.647%0.4727%0.271SS..THydrogen-bonded Turntrans-69.9-8.6175.5-73.7177.7-177.6170.10114.1H109 E138 V140 I144H109-K142 PolarHBondContact ND1-NZ 2.89Å; H109-K142 VanDerWaalsContact ND1-NZ 3.18Å; E138-K142 WeakPolarHBondContact O-CG 3.26Å; E138-K142 PolarHBondContact O-N 3.49Å; E138-K142 WeakPolarHBondContact OE1-CE 3.39Å; E138-K142 IonicContact OE1-NZ 3.17Å; E138-K142 PolarHBondContact OE1-NZ 3.45Å; V140-K142 VanDerWaalsContact C-N 3.29Å; V140-K142 PolarHBondContact O-N 3.14Å; K142-I144 HydrophobicContact CB-CD1 3.97Å; K142-I144 HydrophobicContact CB-CG1 3.69Å; K142-I144 HydrophobicContact CD-CD1 4.48Å; K142-I144 PolarHBondContact O-N 2.83Å
143K77.9Confident83.8Confident184 Ų18456.8 Ų56.880%0.827%0.272SS*.THydrogen-bonded Turntrans49.155.8-179.2-64.7-175.3179.9179.50113.2V140 N141V140-K143 PolarHBondContact O-N 2.86Å; V140-K143 VanDerWaalsContact O-N 3.15Å; N141-K143 PolarHBondContact O-N 3.2Å
144I73.7Confident83.2Confident22 Ų2260.8 Ų60.811%0.11329%0.293CS..  trans-75.5147.4-172.3-58178000111.4V108 A139 K142 N146 Y149V108-I144 HydrophobicContact CB-CD1 4.22Å; V108-I144 HydrophobicContact CG1-CD1 3.21Å; V108-I144 HydrophobicContact CG2-CD1 4.14Å; A139-I144 HydrophobicContact CB-CD1 4.25Å; K142-I144 HydrophobicContact CB-CD1 3.97Å; K142-I144 HydrophobicContact CB-CG1 3.69Å; K142-I144 HydrophobicContact CD-CD1 4.48Å; K142-I144 PolarHBondContact O-N 2.83Å; I144-N146 PolarHBondContact O-N 3.42Å; I144-N146 PolarHBondContact O-OD1 3.41Å; I144-Y149 HydrophobicContact CG2-CD1 4.25Å; I144-Y149 HydrophobicContact CG2-CD2 3.37Å; I144-Y149 HydrophobicContact CG2-CE1 4.04Å; I144-Y149 HydrophobicContact CG2-CE2 3.07Å; I144-Y149 HydrophobicContact CG2-CG 3.95Å; I144-Y149 VanDerWaalsContact CG2-CZ 3.44Å
145N75Confident82.4Confident112 Ų11266.1 Ų66.160%0.59932%0.32SS*.  trans-65.499175.7-66.8-26.2000111E147 Y149N145-E147 VanDerWaalsContact C-N 3.31Å; N145-E147 PolarHBondContact O-N 2.92Å; N145-E147 VanDerWaalsContact O-N 3.17Å; N145-Y149 WeakPolarHBondContact O-CD2 3.29Å
146N76.6Confident81Confident52 Ų5267.2 Ų67.228%0.27834%0.337SS..Hα-helixtrans-55.5-39.2-170.6-67.3-39.5000114.9G72 L73 I144 V150G72-N146 PolarHBondContact O-ND2 2.96Å; L73-N146 WeakPolarHBondContact CA-OD1 3.32Å; L73-N146 VanDerWaalsContact CD1-OD1 3.28Å; L73-N146 WeakPolarHBondContact CD1-OD1 3.45Å; L73-N146 WeakPolarHBondContact CG-OD1 2.98Å; I144-N146 PolarHBondContact O-N 3.42Å; I144-N146 PolarHBondContact O-OD1 3.41Å; N146-V150 WeakPolarHBondContact O-CB 3.25Å; N146-V150 WeakPolarHBondContact O-CG2 3.17Å; N146-V150 PolarHBondContact O-N 2.77Å
147E77.7Confident79.1Confident171 Ų17171.8 Ų71.880%0.79936%0.355SS*.Hα-helixtrans-72.5-40.3-169.4-65.6178.9-177.900113.3N145 Y149 V150 A151N145-E147 VanDerWaalsContact C-N 3.31Å; N145-E147 PolarHBondContact O-N 2.92Å; N145-E147 VanDerWaalsContact O-N 3.17Å; E147-Y149 PolarHBondContact O-N 2.76Å; E147-V150 PolarHBondContact O-N 3.45Å; E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.31Å; E147-A151 PolarHBondContact O-N 3.3Å
148E80.4Confident76.6Confident98 Ų9881.3 Ų81.346%0.45840%0.396SS..Hα-helixtrans-64.5-44.4-178.8-170.3-165.6146.700111.3A151 R152E148-A151 PolarHBondContact O-N 3.47Å; E148-R152 WeakPolarHBondContact O-CB 3.39Å; E148-R152 PolarHBondContact O-N 2.8Å; E148-R152 IonicContact OE1-CZ 2.75Å; E148-R152 IonicContact OE1-NH1 3.69Å; E148-R152 PolarHBondContact OE1-NH1 3.3Å; E148-R152 IonicContact OE1-NH2 3.8Å
149Y81.8Confident74.1Confident43 Ų4383.5 Ų83.517%0.16941%0.413CS..Hα-helixtrans-72.1-38.2-177.7-68.5-102.8000111V107 V108 I144 N145 E147 R152 V153V107-Y149 HydrophobicContact CG1-CD1 3.78Å; V107-Y149 HydrophobicContact CG1-CE1 4.45Å; V107-Y149 WeakPolarHBondContact O-CE1 3.22Å; V108-Y149 HydrophobicContact CB-CD1 4.23Å; V108-Y149 HydrophobicContact CB-CE1 4.42Å; V108-Y149 HydrophobicContact CG2-CD1 3.5Å; V108-Y149 VanDerWaalsContact CG2-CD1 3.5Å; V108-Y149 HydrophobicContact CG2-CE1 4.06Å; V108-Y149 HydrophobicContact CG2-CG 4.08Å; I144-Y149 HydrophobicContact CG2-CD1 4.25Å; I144-Y149 HydrophobicContact CG2-CD2 3.37Å; I144-Y149 HydrophobicContact CG2-CE1 4.04Å; I144-Y149 HydrophobicContact CG2-CE2 3.07Å; I144-Y149 HydrophobicContact CG2-CG 3.95Å; I144-Y149 VanDerWaalsContact CG2-CZ 3.44Å; N145-Y149 WeakPolarHBondContact O-CD2 3.29Å; E147-Y149 PolarHBondContact O-N 2.76Å; Y149-R152 PolarHBondContact O-N 3.03Å; Y149-V153 WeakPolarHBondContact O-CG2 3.29Å; Y149-V153 PolarHBondContact O-N 3.33Å
150V83.2Confident71.4Confident11 Ų1190.6 Ų90.67%0.06745%0.451CS..Hα-helixtrans-65.9-43.2175.31730000111L77 F104 N146 E147 R152 V153 L154L77-V150 HydrophobicContact CB-CG1 4.28Å; L77-V150 HydrophobicContact CB-CG2 4.32Å; L77-V150 HydrophobicContact CD1-CG1 4.43Å; F104-V150 HydrophobicContact CD2-CG2 4.43Å; F104-V150 HydrophobicContact CE2-CG2 4.14Å; N146-V150 WeakPolarHBondContact O-CB 3.25Å; N146-V150 WeakPolarHBondContact O-CG2 3.17Å; N146-V150 PolarHBondContact O-N 2.77Å; E147-V150 PolarHBondContact O-N 3.45Å; V150-R152 PolarHBondContact O-N 3.26Å; V150-V153 PolarHBondContact O-N 2.9Å; V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 HydrophobicContact CG1-CG 4.43Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.02Å
151A81.8Confident68.8Low38 Ų3895.9 Ų95.931%0.31448%0.478SS..Hα-helixtrans-61.4-44.1176.200000111.8E147 E148 V153 L154 Q155E147-A151 VanDerWaalsContact O-CB 3.31Å; E147-A151 WeakPolarHBondContact O-CB 3.31Å; E147-A151 PolarHBondContact O-N 3.3Å; E148-A151 PolarHBondContact O-N 3.47Å; A151-V153 VanDerWaalsContact C-N 3.34Å; A151-V153 PolarHBondContact O-N 3.39Å; A151-L154 PolarHBondContact O-N 3.29Å; A151-Q155 WeakPolarHBondContact O-CB 3.11Å; A151-Q155 VanDerWaalsContact O-CG 3.23Å; A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 2.81Å
152R79Confident66.3Low97 Ų9796.8 Ų96.837%0.36649%0.487SS..Hα-helixtrans-63-37.7178.8-171158.353-145.4-3.6112.6V107 E148 Y149 V150 G156V107-R152 HydrophobicContact CG1-CB 4.3Å; V107-R152 HydrophobicContact CG1-CG 4.02Å; E148-R152 WeakPolarHBondContact O-CB 3.39Å; E148-R152 PolarHBondContact O-N 2.8Å; E148-R152 IonicContact OE1-CZ 2.75Å; E148-R152 IonicContact OE1-NH1 3.69Å; E148-R152 PolarHBondContact OE1-NH1 3.3Å; E148-R152 IonicContact OE1-NH2 3.8Å; Y149-R152 PolarHBondContact O-N 3.03Å; V150-R152 PolarHBondContact O-N 3.26Å; R152-G156 PolarHBondContact O-N 3.34Å
153V81.2Confident63.8Low6 Ų6101.9 Ų101.94%0.03651%0.509CS..Hα-helixtrans-72-39176.1175.50000112.3L77 D103 F104 V107 Y149 V150 A151L77-V153 HydrophobicContact CD1-CB 4.17Å; L77-V153 HydrophobicContact CD1-CG1 3.72Å; D103-V153 HydrophobicContact CB-CG1 3.83Å; F104-V153 HydrophobicContact CB-CG2 4.12Å; F104-V153 HydrophobicContact CD2-CG2 4.34Å; V107-V153 HydrophobicContact CB-CG2 4.2Å; V107-V153 HydrophobicContact CG2-CG2 3.88Å; Y149-V153 WeakPolarHBondContact O-CG2 3.29Å; Y149-V153 PolarHBondContact O-N 3.33Å; V150-V153 PolarHBondContact O-N 2.9Å; A151-V153 VanDerWaalsContact C-N 3.34Å; A151-V153 PolarHBondContact O-N 3.39Å
154L80.5Confident61.7Low86 Ų8697 Ų9745%0.4550%0.504SS..Hα-helixtrans-70.9-37177.9-71.5173.2000112.1V150 A151V150-L154 HydrophobicContact CG1-CD1 3.89Å; V150-L154 HydrophobicContact CG1-CG 4.43Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.02Å; A151-L154 PolarHBondContact O-N 3.29Å
155Q74.4Confident59.8Low156 Ų156100.9 Ų100.973%0.72953%0.532SS*.Hα-helixtrans-75.2-32176.7-68.8173.711.400112.4A151 R157A151-Q155 WeakPolarHBondContact O-CB 3.11Å; A151-Q155 VanDerWaalsContact O-CG 3.23Å; A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 2.81Å; Q155-R157 PolarHBondContact O-N 3.49Å; Q155-R157 VanDerWaalsContact O-N 3.16Å
156G61Low57.8Low49 Ų49103.5 Ų103.551%0.50555%0.545SS..THydrogen-bonded Turntrans-68.7-5.5-179.700000115.9R152 K158R152-G156 PolarHBondContact O-N 3.34Å; G156-K158 VanDerWaalsContact C-N 3.27Å; G156-K158 PolarHBondContact O-N 3.27Å
157R52.5Low55.6Low98 Ų98107.7 Ų107.737%0.3757%0.572SS.*THydrogen-bonded Turntrans-77.50.3-180-72.4-175.6-170.6-127-23.7115.5K100 D103 Q155K100-R157 VanDerWaalsContact CA-NH2 3.33Å; K100-R157 VanDerWaalsContact CB-NH2 3.35Å; D103-R157 IonicContact OD2-NH2 3.76Å; Q155-R157 PolarHBondContact O-N 3.49Å; Q155-R157 VanDerWaalsContact O-N 3.16Å
158K37.9Very low53.3Low200 Ų200103 Ų10387%0.8757%0.569SS**  trans-102.252.2172-71.7-174.4178.1179.50111.7G156G156-K158 VanDerWaalsContact C-N 3.27Å; G156-K158 PolarHBondContact O-N 3.27Å
159V35.7Very low51Low99 Ų99107.6 Ų107.660%0.659%0.588SS**  trans-143.155.5166.2-162.90000109.8D161 V162V159-D161 VanDerWaalsContact C-N 3.33Å; V159-D161 PolarHBondContact O-N 3.47Å; V159-V162 HydrophobicContact CG1-CG2 3.6Å
160D30.9Very low48.7Very low149 Ų149114.8 Ų114.880%0.79762%0.622SS**THydrogen-bonded Turntrans-78.688.6152.3-69.5-42.4000106.2
161D33.7Very low46.4Very low134 Ų134120.3 Ų120.372%0.71766%0.656SS**THydrogen-bonded Turntrans178.512.3159.5-93.1-23.8000115.8V159 K163V159-D161 VanDerWaalsContact C-N 3.33Å; V159-D161 PolarHBondContact O-N 3.47Å; D161-K163 VanDerWaalsContact C-N 3.28Å; D161-K163 PolarHBondContact O-N 3.39Å; D161-K163 VanDerWaalsContact O-N 3.16Å
162V35Very low44.2Very low119 Ų119123.6 Ų123.672%0.72168%0.677SS**THydrogen-bonded Turntrans-95.157.6176.2-167.60000111.3V159V159-V162 HydrophobicContact CG1-CG2 3.6Å
163K30.4Very low42Very low215 Ų215127.7 Ų127.794%0.93570%0.7SS**THydrogen-bonded Turntrans-131.113.9153.4-148176.1-177.5178.70112.3D161D161-K163 VanDerWaalsContact C-N 3.28Å; D161-K163 PolarHBondContact O-N 3.39Å; D161-K163 VanDerWaalsContact O-N 3.16Å
164A32.5Very low40Very low83 Ų83135.1 Ų135.169%0.68674%0.738SS**SBendtrans-141.37-176.400000116.2
165S33.8Very low37.8Very low102 Ų102140.4 Ų140.471%0.71376%0.757SS**  trans-117.923.3-166.8-135.90000117.8
166I32.8Very low36Very low168 Ų168141 Ų14186%0.86276%0.76SS**SBendtrans-107.217.7168.3-58.3177.9000111.4
167V31.7Very low34.8Very low140 Ų140143.9 Ų143.985%0.84877%0.769SS**SBendtrans-133.292.3172.4-176.20000109.5
168G28.6Very low33.9Very low71 Ų71148 Ų14873%0.73279%0.79SS**  trans104.5101.2151.700000118
169K32.1Very low33.8Very low196 Ų196148.1 Ų148.185%0.85279%0.791SS**  175.499.6122.9-106.9175.2171.81740112.6
170E33.7Very low33.9Very low193 Ų193153.4 Ų153.490%0.90281%0.805SS**  trans-146.494.1139.4-73.5-163.2156.800104.5
171V36Very low34.1Very low128 Ų128152.3 Ų152.378%0.77681%0.807SS**  51.193.690.6-171.50000113.7
172S35.8Very low34.1Very low107 Ų107149.2 Ų149.275%0.74881%0.806SS**  176.8123.6117.137.80000112.2
173E32.5Very low34.2Very low182 Ų182149.2 Ų149.285%0.8581%0.807SS**  trans42.5117.2147.6-63.1-177.6130.200121.9
174I37.5Very low34.4Very low162 Ų162147.4 Ų147.483%0.83180%0.801SS**  174.6108.5108.3-78.2151.7000110.8
175K35Very low34.7Very low198 Ų198149.3 Ų149.386%0.86181%0.81SS**  trans44.3112.6143.9-63.7177.1178.7173.80123.8
176H36.8Very low34.7Very low168 Ų168152 Ų15278%0.77882%0.816SS**  trans-18.2170.1138.9-73.6-54.4000120.4
177P36.1Very low35.3Very low109 Ų109149 Ų14971%0.70881%0.807SS**  cis-150.21522226.31000121.6
178K34.1Very low35.6Very low184 Ų184148.8 Ų148.880%0.881%0.807SS**  57.4125.3123-56.2174.1178.2177.20124.8
179K35.4Very low35.9Very low204 Ų204148.3 Ų148.389%0.88780%0.801SS**  160.4114.9114.7-92.4177.4175.4178.50109.2
180K36.6Very low36.5Very low209 Ų209148.8 Ų148.891%0.90981%0.806SS**  75.314560.5-84.9-149.9178.9-175.50117.2
181P36.5Very low36.4Very low127 Ų127150.9 Ų150.983%0.82581%0.806SS**  trans-128.8-171.8-134.341.3-22.7000116
182G33.1Very low36.6Very low69 Ų69149.1 Ų149.171%0.71180%0.804SS**  trans126.4147.7170.100000112.3
183T37.3Very low36.7Very low118 Ų118152.9 Ų152.972%0.72481%0.808SS**  cis-174.8143.917.3-72.30000108.9
184E33.7Very low37Very low177 Ų177151.5 Ų151.583%0.82781%0.805SS**  trans37.1128.7150.7-59.6160.3-177.300123.8
185S39.6Very low36.9Very low123 Ų123149.6 Ų149.686%0.8680%0.801SS**  170.5133.8107.744.90000113.1
186N34.4Very low37.3Very low158 Ų158148.8 Ų148.885%0.84580%0.801SS**  trans-100.3-176171.3-103.2-27000108.4
187P43.9Very low37.4Very low105 Ų105147.3 Ų147.368%0.68281%0.809SS**  cis-133.7-168.2-46.837-17.9000111.2
188V38.4Very low37.4Very low137 Ų137152 Ų15283%0.8381%0.813SS**  trans149.1119138.3169.30000113.3
189G34.8Very low38Very low60 Ų60152.5 Ų152.562%0.61982%0.818SS**  trans75.4111.6131.900000121
190H44.5Very low38.1Very low206 Ų206148.7 Ų148.795%0.95480%0.801SS**  179.4139.8109-93-68.9000112
191R33.1Very low38Very low237 Ų237146.7 Ų146.789%0.89479%0.789SS**  trans-112.7133.5-172.7164.1-172.6-179.3177.71.7109.2
192A39.7Very low38.1Very low91 Ų91148.9 Ų148.975%0.75279%0.786SS**  trans-171.8111.6152.400000110.2
193K38.5Very low38.3Very low187 Ų187153 Ų15381%0.81379%0.79SS**  64.6104.2102.4-84.3-177.2175179.60114.5
194L38.9Very low38Very low153 Ų153155 Ų15580%0.80180%0.796SS**  71.9114.396.1-106.999.3000114.3
195T35.3Very low38Very low122 Ų122149.8 Ų149.875%0.74879%0.79SS**  160.1129.410841.90000114.4
196Q41.9Very low37.8Very low181 Ų181149.8 Ų149.885%0.84679%0.785SS**  trans9134.9150-63.4171.16.700121.3
197S39.3Very low37.9Very low136 Ų136151.1 Ų151.195%0.95178%0.783SS**  trans-159.2146.6134.4-85.10000112.4
198R37.3Very low37.6Very low208 Ų208152.6 Ų152.679%0.78579%0.785SS**  trans-121.8126.3-157.2178.4-171.1-175.5-163.36.1108.8
199Q46.1Very low37.8Very low195 Ų195150.6 Ų150.691%0.91178%0.778SS**  trans-148.3110.1166.3-73.1178.7-17.100105.4
200K37.8Very low38.1Very low123 Ų123153.1 Ų153.154%0.53578%0.781SS.*  cis70.6106.139.9-110.8-175.9178.4-150.60115
201Y34.8Very low37.9Very low167 Ų167150.2 Ų150.266%0.65577%0.773SS**  trans75.7148.4152.6-54.5-55.2000115.9
202K37.9Very low38.3Very low174 Ų174143.7 Ų143.776%0.75776%0.761SS**  cis-177152.911.7-122.5168.6-168.1-177.60108.7
203L37.9Very low38.3Very low155 Ų155145.4 Ų145.481%0.81276%0.762SS**  trans69.9112.8135.6-133.884.3000122.7
204N29.7Very low38.2Very low159 Ų159142.9 Ų142.985%0.8576%0.757SS**  trans-0.1147.7140.1-55.8-7.6000122
205G33.4Very low38.1Very low68 Ų68142.1 Ų142.170%0.70175%0.753SS**  trans149.688.115600000112.5
206V36.8Very low38.3Very low123 Ų123143.9 Ų143.975%0.74575%0.753SS**  88.612183.7167.40000114.3
207K36.1Very low37.9Very low186 Ų186142 Ų14281%0.80975%0.749SS**  trans69.7147.3154.7-68.1166.3-169.8-176.10116.8
208D37.9Very low37.8Very low136 Ų136141.7 Ų141.773%0.72775%0.745SS**  cis-170.917137.3-152.2-5000112.1
209S41.6Very low37.9Very low96 Ų96137.4 Ų137.467%0.67174%0.738SS**  trans100.390.4157.4-35.50000117
210T40.8Very low37.2Very low112 Ų112135 Ų13569%0.68773%0.732SS**  51.7123.576.456.90000114
211D41.6Very low37.1Very low145 Ų145133.7 Ų133.778%0.77574%0.743SS**  -173.6172.371.1-96.4-42.4000113.8
212P40.8Very low37.3Very low101 Ų101137.9 Ų137.966%0.65676%0.758SS**  trans-129.2-152.9-138.642.4-23.6000116.4
213V40.1Very low37.1Very low127 Ų127137.7 Ų137.777%0.7776%0.759SS**  trans71.8142.9166.9-76.50000118.4
214N36.8Very low37.2Very low133 Ų133136.6 Ų136.671%0.71175%0.754SS**  cis-160.4140.822.1-108.9-31.8000107.7
215L37Very low37.7Very low137 Ų137137.3 Ų137.372%0.71775%0.753SS**  82.4130.883.1-143.480.7000116.1
216E39.7Very low37.9Very low160 Ų160141.4 Ų141.475%0.74876%0.755SS**  trans92.4109.5153.2-84.7164.6-156.600123.4
217N32.4Very low38.1Very low142 Ų142143.1 Ų143.176%0.75976%0.759SS**  44.3128.2125.7-68.3-5.7000122.7
218C37.9Very low38.3Very low128 Ų128142 Ų14287%0.86576%0.756SS**  trans-154.790.2144.1-1520000106.7
219D38.4Very low38.4Very low118 Ų118142.3 Ų142.363%0.63176%0.758SS**  61.497.687.5-80.1-44.5000116.3
220N31.8Very low38.2Very low146 Ų146142.8 Ų142.878%0.78176%0.761SS**  57.4132117.3-70.4-47.3000123.1
221A36.6Very low38Very low94 Ų94141.4 Ų141.478%0.77777%0.769SS**  trans84.4113.4135.500000120.1
222R38.1Very low37.8Very low256 Ų256140.4 Ų140.497%0.96677%0.774SS**  trans-150.792.5133.6-107.3172.9-173.9169.72.7110.4
223E34.1Very low37.8Very low169 Ų169141.5 Ų141.579%0.7978%0.78SS**  trans-95.5161159.1-162.3176.3-16200108
224N39.5Very low37.9Very low132 Ų132140.2 Ų140.271%0.70678%0.783SS**  trans90.7103.9173.3-51.1-43.5000117.3
225H40.4Very low37.7Very low175 Ų175137 Ų13781%0.8178%0.781SS**  -171120.786.1-114.3-66000112.8
226M36.4Very low37.9Very low154 Ų154137.6 Ų137.676%0.75979%0.785SS**  trans-71.7130.1162.8-177.9156.759.600109.4
227I41.6Very low38Very low159 Ų159138 Ų13882%0.81579%0.787SS**  trans-135.1107.4157.2-60.6-178.1000107.4
228Q39.6Very low37.9Very low161 Ų161137.1 Ų137.175%0.75279%0.791SS**  trans-88.7133.1157.9-69.9173.6-0.900107.5
229D40.9Very low37.7Very low144 Ų144134.7 Ų134.777%0.7779%0.787SS**  trans171.9110.6139.8-103.4-25.7000107.8
230S37.7Very low37.4Very low106 Ų106136.7 Ų136.774%0.74180%0.797SS**  65.511480.986.80000112.5
231G37.1Very low37.8Very low82 Ų82139.1 Ų139.185%0.84580%0.804SS**  trans164.283.7-179.400000116.2
232S36.9Very low37.3Very low125 Ų125140.1 Ų140.187%0.87480%0.801SS**  trans-33.6169.9169.9-97.20000121.6
233P41.3Very low37.3Very low123 Ų123136.1 Ų136.180%0.79980%0.797SS**  trans-105.7160.1-156.940.7-31.8000115.3
234A40.5Very low37.1Very low101 Ų101136 Ų13684%0.83580%0.797SS**  trans-163.1122.4154.800000106.3
235G34.1Very low37Very low65 Ų65139.1 Ų139.167%0.6780%0.804SS**  95.1100.153.400000107.5
236N40.8Very low36.7Very low150 Ų150136.2 Ų136.280%0.80280%0.803SS**  trans175.5121.9136.3-88-12.5000114.6
237H42Very low36.5Very low167 Ų167137.9 Ų137.977%0.77381%0.809SS**  trans63110.8139-74.4-75.3000120.2
238C30.5Very low36.3Very low125 Ų125138.7 Ų138.785%0.84581%0.81SS**  8612164.1-1700000112.6
239G32.7Very low35.9Very low77 Ų77139.4 Ų139.479%0.79481%0.813SS**  trans171.767.8172.200000113
240L33.6Very low35.8Very low160 Ų160140.5 Ų140.584%0.83882%0.817SS**  trans-76.9123.4168.8-117.1149.4000109.1
241Q38.7Very low35.8Very low196 Ų196140.8 Ų140.892%0.91681%0.814SS**  trans-140.2120.4149.4-73.9-167.813.400110.3
242T27.6Very low35.7Very low116 Ų116140.9 Ų140.971%0.71281%0.807SS**  trans-71.7137.6170.6-56.10000110.5
243L36.2Very low35.6Very low171 Ų171140.9 Ų140.990%0.89580%0.804SS**  trans-151.4119.2148.9-132.6154.5000109.7
244E31.8Very low34.9Very low167 Ų167139.7 Ų139.778%0.7880%0.798SS**  trans-64.4160.2171.6-71.1-173.6123.100112
245K35.6Very low35Very low197 Ų197142.7 Ų142.786%0.85780%0.8SS**  trans113.6132.1139.5-141.9173.5-163.7178.10115.4
246S35.8Very low34.8Very low114 Ų114147.8 Ų147.880%0.79781%0.806SS**  trans110.3115155.3-35.40000115.4
247Q32.1Very low34.4Very low189 Ų189147.5 Ų147.588%0.88380%0.804SS**  trans-55.5137.9164-64.6158.9-46.200110.7
248E37.2Very low33.8Very low177 Ų177144.8 Ų144.883%0.82780%0.804SS**  trans-178.3113.1136.7-106.7168.3173.300110.6
249E30.9Very low34Very low175 Ų175147.1 Ų147.182%0.81880%0.803SS**  trans25.7106.1130.9-157.3168.9-170.400118.3
250I37.8Very low33.9Very low168 Ų168149.3 Ų149.386%0.86280%0.801SS**  trans-130.9127156.7-59.6-179.2000109.8
251V37.9Very low33.8Very low111 Ų111145.9 Ų145.967%0.67379%0.791SS**  trans-89.5132.2-172.31650000111.1
252A35.2Very low33.6Very low85 Ų85141.9 Ų141.970%0.70278%0.779SS**  trans63.3158.914800000119.1
253P34.8Very low33.8Very low125 Ų125145.3 Ų145.381%0.81278%0.784SS**  -131146.454.927.4-5.8000116.5
254S28.1Very low34.2Very low97 Ų97143.5 Ų143.568%0.67877%0.772SS**  trans-42.2127162.1-1670000113.7
255L40.7Very low34.6Very low165 Ų165140.9 Ų140.986%0.86477%0.769SS**  trans-108.4100.8158.1-79.7173.2000108.7N257L255-N257 PolarHBondContact O-N 3.18Å
256Q30.2Very low34.7Very low171 Ų171142.8 Ų142.880%0.79977%0.771SS**  trans-68.1103.1163.8-67.7173-19.400108.3
257N34.1Very low35.1Very low144 Ų144144.2 Ų144.277%0.7777%0.768SS**  trans-112.398.6157.8-88.3-7.1000108.6L255 E259L255-N257 PolarHBondContact O-N 3.18Å; N257-E259 PolarHBondContact O-N 3.35Å
258S29.4Very low35.9Very low110 Ų110143.9 Ų143.977%0.76977%0.767SS**  trans-69.186.2169.352.30000110.1T260S258-T260 PolarHBondContact O-N 2.94Å
259E34.7Very low36.4Very low175 Ų175142.3 Ų142.382%0.81875%0.753SS**  trans-83.989.2163.7-74-168.7167.300109.4N257 S261N257-E259 PolarHBondContact O-N 3.35Å; E259-S261 PolarHBondContact O-N 2.98Å
260T28.8Very low37.2Very low122 Ų122137.3 Ų137.375%0.74874%0.736SS**  trans-70.279.9163-55.50000107.8S258 V262S258-T260 PolarHBondContact O-N 2.94Å; T260-V262 VanDerWaalsContact C-N 3.32Å; T260-V262 HydrophobicContact CG2-CG2 4.35Å; T260-V262 PolarHBondContact O-N 3.35Å
261S32.1Very low37.9Very low89 Ų89133.2 Ų133.262%0.62273%0.727SS**  trans-71.791.7168.3153.30000108.2E259 F263E259-S261 PolarHBondContact O-N 2.98Å; S261-F263 PolarHBondContact O-N 3.39Å
262V34.6Very low38.6Very low111 Ų111132.2 Ų132.267%0.67373%0.725SS**  trans-54.898.3167.8178.20000108.3T260 Q264T260-V262 VanDerWaalsContact C-N 3.32Å; T260-V262 HydrophobicContact CG2-CG2 4.35Å; T260-V262 PolarHBondContact O-N 3.35Å; V262-Q264 VanDerWaalsContact C-N 3.3Å; V262-Q264 HydrophobicContact CG1-CG 4.49Å; V262-Q264 PolarHBondContact O-N 3.18Å
263F32.8Very low39.3Very low188 Ų188131.8 Ų131.883%0.82572%0.721SS**  trans-62.595.6165.2-102.3-89.2000107.5S261 P265S261-F263 PolarHBondContact O-N 3.39Å; F263-P265 WeakPolarHBondContact O-CD 3.36Å
264Q43.3Very low39.7Very low134 Ų134134.3 Ų134.363%0.62672%0.719SS**  trans-60.4122.6168.4-71.1-161.5-4.800108V262 R266V262-Q264 VanDerWaalsContact C-N 3.3Å; V262-Q264 HydrophobicContact CG1-CG 4.49Å; V262-Q264 PolarHBondContact O-N 3.18Å; Q264-R266 PolarHBondContact O-N 2.86Å
265P40Very low40.3Very low111 Ų111133.3 Ų133.372%0.72173%0.725SS**  trans-61.3123.3173.2-12.325.6000107F263 L267F263-P265 WeakPolarHBondContact O-CD 3.36Å; P265-L267 PolarHBondContact O-N 3.4Å
266R38.2Very low40.6Very low237 Ų237134.3 Ų134.389%0.89473%0.725SS**  trans-50.2108.3165.3-75.3-176177.2179.2-1106.9Q264 H268Q264-R266 PolarHBondContact O-N 2.86Å; R266-H268 PolarHBondContact O-N 3.28Å
267L44.8Very low41.2Very low144 Ų144137.7 Ų137.775%0.75473%0.73SS**  trans-58.2109.5178.3-75.8169000107P265 R269P265-L267 PolarHBondContact O-N 3.4Å; L267-R269 PolarHBondContact O-N 3.43Å; L267-R269 VanDerWaalsContact O-N 3.09Å
268H47.7Very low41.9Very low183 Ų183136.9 Ų136.985%0.84773%0.73SS**PPolyproline II helixtrans-58.8116.3171.4-84.9-71.8000107.7R266R266-H268 PolarHBondContact O-N 3.28Å
269R49.1Very low42.5Very low144 Ų144140.6 Ų140.654%0.54373%0.733SS.*PPolyproline II helixtrans-49.9123.1166.9-177.5164.1-170.7158.64.9108.1L267 W468L267-R269 PolarHBondContact O-N 3.43Å; L267-R269 VanDerWaalsContact O-N 3.09Å; R269-W468 HydrophobicContact CB-CH2 4.1Å; R269-W468 HydrophobicContact CB-CZ2 4.46Å; R269-W468 VanDerWaalsContact CD-CZ2 3.42Å; R269-W468 HydrophobicContact CG-CH2 3.72Å; R269-W468 HydrophobicContact CG-CZ2 3.59Å; R269-W468 VanDerWaalsContact CZ-CE2 3.47Å; R269-W468 VanDerWaalsContact NH2-NE1 3.15Å
270P47.5Very low42.8Very low70 Ų70141.6 Ų141.646%0.45573%0.734SS.*PPolyproline II helixtrans-60.2148.3-179.922.8-31.3000110.3S272P270-S272 PolarHBondContact O-N 3.35Å
271A52Low43.7Very low82 Ų82142.4 Ų142.468%0.67873%0.734SS**G310 helixtrans-6914.8-171.700000115.5A273 K274A271-A273 PolarHBondContact O-N 3.01Å; A271-K274 PolarHBondContact O-N 3.48Å
272S52.4Low44.1Very low90 Ų90146.1 Ų146.163%0.62975%0.747SS**G310 helixtrans-67.2-21.3-176.5-150.80000113.3P270 K274P270-S272 PolarHBondContact O-N 3.35Å; S272-K274 VanDerWaalsContact C-N 3.3Å; S272-K274 PolarHBondContact O-N 3.31Å
273A49.4Very low44.5Very low75 Ų75146.9 Ų146.962%0.6275%0.752SS**G310 helixtrans-83.53.9177.600000114.6A271A271-A273 PolarHBondContact O-N 3.01Å
274K43.9Very low44.9Very low178 Ų178147.3 Ų147.377%0.77475%0.753SS**SBendtrans-99.185.3171.2-85.1175.5175.3171.90109A271 S272 Q276A271-K274 PolarHBondContact O-N 3.48Å; S272-K274 VanDerWaalsContact C-N 3.3Å; S272-K274 PolarHBondContact O-N 3.31Å; K274-Q276 PolarHBondContact O-N 2.93Å
275G41.5Very low44.5Very low77 Ų77148.1 Ų148.179%0.79476%0.761SS**  trans-49106.816500000109.7R277G275-R277 PolarHBondContact O-N 3.45Å
276Q47.3Very low44.8Very low185 Ų185148.3 Ų148.386%0.86477%0.765SS**  trans-72.893.6-179.2-141.3169.41.200106.8K274 V278K274-Q276 PolarHBondContact O-N 2.93Å; Q276-V278 VanDerWaalsContact C-N 3.33Å; Q276-V278 PolarHBondContact O-N 2.99Å
277R42.4Very low44.6Very low242 Ų242142.7 Ų142.791%0.91376%0.757SS**  trans-67.695.3173.4-164.3178.1-173.5-165.12.3107.7G275 K279G275-R277 PolarHBondContact O-N 3.45Å; R277-K279 PolarHBondContact O-N 3.07Å; R277-K279 VanDerWaalsContact O-N 3.1Å
278V47.8Very low44.6Very low127 Ų127142.7 Ų142.777%0.7776%0.758SS**  trans-53.6114.1169175.90000107.6Q276 K280Q276-V278 VanDerWaalsContact C-N 3.33Å; Q276-V278 PolarHBondContact O-N 2.99Å; V278-K280 PolarHBondContact O-N 3.48Å
279K42.9Very low44.4Very low189 Ų189141.6 Ų141.682%0.82275%0.753SS**  trans-64.2112.4164.6-104.6176.4171.6-179.50106.3R277 D281R277-K279 PolarHBondContact O-N 3.07Å; R277-K279 VanDerWaalsContact O-N 3.1Å; K279-D281 PolarHBondContact O-N 3.5Å
280K41.2Very low44.1Very low196 Ų196143.8 Ų143.885%0.85277%0.77SS**  trans-72103.7173.3-176.1175.1-178.7174.90107.3V278V278-K280 PolarHBondContact O-N 3.48Å
281D46.7Very low43.8Very low139 Ų139147.7 Ų147.774%0.74379%0.786SS**  trans-69.3137.5165.4-72.1-38.5000109.3K279 V283K279-D281 PolarHBondContact O-N 3.5Å; D281-V283 PolarHBondContact O-N 3.47Å
282D41Very low43.4Very low166 Ų166148.9 Ų148.989%0.88879%0.79SS**  trans-60.5115.6-179.5-73.5-61.3000111.6
283V42.6Very low42.8Very low127 Ų127153.5 Ų153.577%0.7780%0.799SS**  trans-113.499.6164.9-177.40000107.9D281 L285D281-V283 PolarHBondContact O-N 3.47Å; V283-L285 PolarHBondContact O-N 3.15Å
284K41.1Very low42.5Very low198 Ų198156.9 Ų156.986%0.86181%0.806SS**  trans-69.2113.2162.3-90-180174-179.90108.2
285L34.9Very low42.5Very low150 Ų150156.6 Ų156.679%0.78581%0.807SS**  trans-100.7102.3168.2-160.576.5000107.3V283V283-L285 PolarHBondContact O-N 3.15Å
286S45.6Very low42.3Very low116 Ų116157.3 Ų157.381%0.81180%0.798SS**  trans-96109.4164.2-610000107.4
287T35Very low42.1Very low118 Ų118154.4 Ų154.472%0.72479%0.793SS**  trans-77.4120.9166.4-54.80000107.8
288D44.5Very low41.9Very low145 Ų145150.7 Ų150.778%0.77579%0.786SS**  trans-151150.4146.8-117-28.3000112.1
289Q44.3Very low41.6Very low159 Ų159151.2 Ų151.274%0.74378%0.784SS**  trans-69.1144.4-161.7-59.5153.948.300113.2
290Q43.2Very low41.2Very low191 Ų191146.8 Ų146.889%0.89378%0.777SS**  169.9154.3116-91.6173.8-200113.2
291D40.7Very low40.9Very low151 Ų151148.2 Ų148.281%0.80778%0.777SS**  trans-50.5157.9-169.5-92.4-53.8000119.7
292S42.4Very low40.7Very low108 Ų108148.6 Ų148.676%0.75578%0.778SS**  trans85.7104.1141.8670000121.2
293K41Very low40.7Very low187 Ų187145.5 Ų145.581%0.81378%0.775SS**  82.7106.7115.8-159173.8-177-168.10119.6
294L43.5Very low41Very low146 Ų146144.6 Ų144.676%0.76477%0.772SS**  trans81.7101.2145.6-61.2168.7000120.8
295E42.2Very low41.2Very low172 Ų172141 Ų14180%0.80477%0.769SS**  trans2.9163.9130.5-68.6-73.8126.800120.5
296P37.9Very low41.8Very low91 Ų91145.4 Ų145.459%0.59178%0.775SS**  -135.9-174.9-57.937.2-17.3000110.8
297T44.1Very low42.4Very low125 Ų125145.9 Ų145.977%0.76778%0.775SS**  trans132.9119150.556.60000116.4
298E37.1Very low42.7Very low163 Ų163150.2 Ų150.276%0.76278%0.778SS**  trans30.4115.1135.2-58.2-176160.500119.2
299N42.5Very low42.6Very low138 Ų138153.5 Ų153.574%0.73878%0.78SS**  163.8127.5107.1-85.9-50.7000112.7
300S34.4Very low42.6Very low96 Ų96151.6 Ų151.667%0.67178%0.784SS**  trans31.3114.7133.9-51.90000118.6
301R34.1Very low42.6Very low227 Ų227145.9 Ų145.986%0.85778%0.776SS**  154.4145.5117.5-83.9166.9-177.7-176.11.9113.9
302I43.3Very low42.5Very low146 Ų146145.9 Ų145.975%0.74978%0.776SS**  trans87.6107.6155.7-54.7131.9000117.1P304I302-P304 HydrophobicContact CG2-CG 4.34Å
303A40.2Very low42.3Very low101 Ų101150.8 Ų150.884%0.83578%0.784SS**  trans-86.5138154.900000110.2
304P49.8Very low42.1Very low108 Ų108147.1 Ų147.170%0.70178%0.777SS**  trans-145.9-178148.541.5-23.6000112I302I302-P304 HydrophobicContact CG2-CG 4.34Å
305P45.6Very low41.7Very low123 Ų123146.6 Ų146.680%0.79977%0.774SS**  -118.3168.5-84.429.6-9.6000113.6
306R47.3Very low41.5Very low242 Ų242146.6 Ų146.691%0.91377%0.774SS**  trans-80.6140.3178-138.9-177.6-158.3-147.75.1111.9
307P57.4Low41.3Very low126 Ų126148.8 Ų148.882%0.81878%0.781SS**  trans-87.1149.7166.6-0.720000112.2
308R40.9Very low41Very low210 Ų210148.9 Ų148.979%0.79278%0.777SS**  trans-112.8162.8-172-87.7-177.5163.7171.3-2.4112.2
309R43Very low41Very low214 Ų214148.7 Ų148.781%0.80878%0.776SS**  trans76.9145.4140.1-88.2175.1-174.8-154.1-0.3116.9
310S43.5Very low40.9Very low118 Ų118151 Ų15183%0.82578%0.779SS**  cis-154.9169.717.9-56.40000107.9
311G44.6Very low41Very low71 Ų71154.3 Ų154.373%0.73278%0.784SS**  cis-179.7167.512.200000110.3
312D36.7Very low41.3Very low151 Ų151150.4 Ų150.481%0.80779%0.785SS**  trans-69.9155.6-170.4-57.9-62.9000115.9
313F38.4Very low40.8Very low211 Ų211149.5 Ų149.593%0.92578%0.782SS**  -162.1155.2124.3-126.6-93.7000112
314V36.9Very low40.7Very low110 Ų110153.5 Ų153.567%0.66779%0.786SS**  trans-118.1161.8-153.9-169.30000110.8
315I36.9Very low40.2Very low136 Ų136153.3 Ų153.370%0.69778%0.783SS**  trans108.3122.5143.7-53.5-174.4000119.8
316E36.9Very low39.9Very low172 Ų172153.1 Ų153.180%0.80478%0.783SS**  trans72.1121.6145.4-75.4160.5176.100126.8
317D34.7Very low39.6Very low136 Ų136148.5 Ų148.573%0.72778%0.775SS**  27.3119.8125.9-77.6-26.7000121.1
318N37.5Very low38.5Very low127 Ų127147.7 Ų147.768%0.67977%0.772SS**  166.2136.1105-91.9-61000114
319H35.9Very low38.5Very low160 Ų160141.8 Ų141.874%0.74178%0.777SS**  trans40122144.3-61.6-61.9000122.8
320K40.1Very low38.2Very low187 Ų187138.6 Ų138.681%0.81378%0.775SS**  152.1105.8121.1-82.3167.1-174.8-1790109.6
321Q37.3Very low38.2Very low164 Ų164140 Ų14077%0.76677%0.772SS**  67.997.190.9-162.917229.200112.8
322T40.5Very low38.2Very low146 Ų146143.6 Ų143.690%0.89677%0.773SS**  trans-147123.7151.340.80000110.3
323N33.6Very low38.1Very low127 Ų127141.7 Ų141.768%0.67977%0.771SS**  trans-75.2152.6177-63.4-37.5000110.9
324M37.9Very low38.4Very low184 Ų184140.7 Ų140.791%0.90677%0.769SS**  trans-143.6119.7137.3-78.3-56.4-78.100109.6
325T38.6Very low38.6Very low104 Ų104140.2 Ų140.264%0.63877%0.771SS**  trans-107.6144.3179.8-49.80000108.6
326C40Very low38.8Very low119 Ų119142.2 Ų142.280%0.80478%0.777SS**  trans-137.190.8159.6-58.80000105.7
327I40Very low39Very low146 Ų146143.1 Ų143.175%0.74978%0.782SS**  63.294.794.7-53.4159.8000110.4
328S35.7Very low39.2Very low108 Ų108143.2 Ų143.276%0.75578%0.782SS**  85.4114.470.7-160.30000113.5
329G39.3Very low39.2Very low87 Ų87142.7 Ų142.790%0.89778%0.783SS**  trans-13793.9163.400000107.8
330L38.1Very low39.4Very low146 Ų146140.5 Ų140.576%0.76478%0.781SS**  trans-88.4151.1175.7-149.796.9000108.5
331I42.3Very low39.4Very low148 Ų148138.6 Ų138.676%0.75978%0.78SS**  178.2112.4128.7-88.6156.2000110.7
332I45Very low39.8Very low146 Ų146140 Ų14075%0.74979%0.787SS**  trans74.6113.8140.8-53.8173.7000120.6
333S35.3Very low39.9Very low111 Ų111141.8 Ų141.878%0.77679%0.785SS**  trans-79141.3161.4-42.40000110.9
334E44.5Very low40.6Very low191 Ų191144.6 Ų144.689%0.89379%0.794SS**  trans-152.6146143.6-121.5166.7-160.900111.3
335S39.9Very low41Very low99 Ų99142 Ų14269%0.69278%0.783SS**  trans-90.2150.6-160.541.90000114.1
336Q40.9Very low41.4Very low178 Ų178142.1 Ų142.183%0.83278%0.78SS**  trans47.9112.2148.7-64.9177.79.800117.8
337Q42.5Very low41.8Very low192 Ų192142.3 Ų142.390%0.89777%0.773SS**  -175.2157.5112.8-102.9165.9300112.9
338D39Very low42.2Very low138 Ų138142.8 Ų142.874%0.73878%0.777SS**  trans-51.3146.6-173.1-81.5-48.9000118.7
339T37.6Very low42.9Very low115 Ų115143.8 Ų143.871%0.70677%0.774SS**  trans70.3135.5132.960.60000123
340T39.7Very low43.5Very low114 Ų114147.1 Ų147.170%0.69977%0.772SS**  trans80.9109.3146.345.40000119.5
341D38.9Very low43.9Very low147 Ų147147.3 Ų147.379%0.78677%0.773SS**  42.5114.8122.3-53.7-21.9000117.3
342E46Very low44.1Very low193 Ų193149.2 Ų149.290%0.90278%0.776SS**  -179.3152.799.5-90.4-164.1-173.200111.7
343E42.8Very low43.7Very low185 Ų185151.1 Ų151.186%0.86478%0.779SS**  trans-67.5137.1-176.2-54.7170.4160.800111.6
344H48.5Very low44.1Very low186 Ų186151.5 Ų151.586%0.86178%0.776SS**  trans-160.4147.2132-140.242.4000114.4
345D47Very low44.1Very low128 Ų128146.4 Ų146.468%0.68476%0.762SS**  trans-84.9178.8-169.6-159.3-0.6000112.2
346D46.8Very low44Very low107 Ų107151.5 Ų151.557%0.57278%0.775SS**  trans95.6101152.8-74.8-26000120.5
347N48.7Very low44Very low124 Ų124145.8 Ų145.866%0.66376%0.764SS**  79.5112.9119.4-62-35.7000120.2
348N47.7Very low43.5Very low155 Ų155143.1 Ų143.183%0.82976%0.761SS**  170.4102.2120.4-84.9-39.4000106.3
349D50Low43.2Very low129 Ų129142.2 Ų142.269%0.6977%0.765SS**  52.797.279.9-142.111.2000111.4
350D52.4Low43Very low158 Ų158140.4 Ų140.485%0.84577%0.769SS**  trans-170.5117.4138.6-94.9-29.8000112.4K352D350-K352 PolarHBondContact O-N 2.96Å
351N46.4Very low42.7Very low150 Ų150142.6 Ų142.680%0.80278%0.776SS**  trans-53.3121.6176.6-63-70.6000113.3
352K47.5Very low42.7Very low188 Ų188143.2 Ų143.282%0.81778%0.778SS**  trans-142.990.8150.9-159.2169.1179.7-176.80112.6D350 V354D350-K352 PolarHBondContact O-N 2.96Å; K352-V354 HydrophobicContact CG-CG2 4.27Å; K352-V354 PolarHBondContact O-N 2.83Å
353F35.5Very low42.2Very low186 Ų186139.6 Ų139.682%0.81677%0.774SS**  trans-53115.3159.6-173.6-98000110.1
354V44.3Very low41.9Very low118 Ų118135.9 Ų135.972%0.71578%0.775SS**  trans-122.698163.8-178.50000107.7K352 E356K352-V354 HydrophobicContact CG-CG2 4.27Å; K352-V354 PolarHBondContact O-N 2.83Å; V354-E356 PolarHBondContact O-N 3.37Å
355S44.6Very low41.1Very low84 Ų84135.5 Ų135.559%0.58777%0.774SS**  trans-61120.1162.344.40000110.2G357S355-G357 VanDerWaalsContact C-N 3.34Å; S355-G357 PolarHBondContact O-N 3.01Å
356E38.1Very low40.5Very low207 Ų207137.5 Ų137.597%0.96778%0.782SS**  trans-78.186.4170.4-143.8166.5-160.100108.4V354V354-E356 PolarHBondContact O-N 3.37Å
357G40.2Very low39.9Very low58 Ų58139.8 Ų139.860%0.59879%0.794SS**  trans-96.4118.6170.200000110.2S355S355-G357 VanDerWaalsContact C-N 3.34Å; S355-G357 PolarHBondContact O-N 3.01Å
358T31.9Very low39Very low136 Ų136140 Ų14083%0.83480%0.8SS**  trans30.1109.7145.542.30000118
359S33.6Very low38.6Very low119 Ų119142 Ų14283%0.83280%0.802SS**  157.8110.1115.8-67.90000109.1
360G33.3Very low37.9Very low76 Ų76144.6 Ų144.678%0.78481%0.809SS**  trans-125.6112.1172.600000108.4
361D33.1Very low36.8Very low160 Ų160148.9 Ų148.986%0.85681%0.814SS**  trans-55.3135.4-171.9-67.5-57000115.2
362I38.7Very low36.1Very low161 Ų161147.5 Ų147.583%0.82681%0.807SS**  trans-134.495.6151.7-44.5171.8000107.7
363S35.7Very low35.6Very low116 Ų116146.4 Ų146.481%0.81180%0.802SS**  trans47.991.2144.5-55.10000118.3
364A34.9Very low35.6Very low107 Ų107145.6 Ų145.688%0.88481%0.806SS**  trans-130.886.7152.300000109.3
365E33.2Very low35.2Very low178 Ų178148.1 Ų148.183%0.83281%0.81SS**  trans-123.1105.3164.8-95.3-173.3148.700107.4
366I34.1Very low35.1Very low170 Ų170149.2 Ų149.287%0.87282%0.815SS**  trans-177.776.7145.7-80.5143.4000104.4
367L34.2Very low35.1Very low155 Ų155147.6 Ų147.681%0.81281%0.807SS**SBendtrans-166.9136.6151.2-141.861.3000109
368T30.5Very low35.1Very low129 Ų129151.2 Ų151.279%0.79181%0.813SS**  trans71.290.216129.60000118.8
369K38.5Very low35.8Very low198 Ų198150.3 Ų150.386%0.86180%0.803SS**  trans-128.1100140.9-76.4-178.3179.21750106.3
370Q35Very low36.8Very low183 Ų183151.1 Ų151.186%0.85579%0.794SS**  78101.576.3-163.6173.15.400112.4
371W29.9Very low37.7Very low248 Ų248155.1 Ų155.194%0.93979%0.789SS**  trans-55.5131.1153.5-103.5-79.2000109.7
372D31.9Very low39.1Very low121 Ų121154.4 Ų154.465%0.64778%0.78SS**  176146.7108.3-151.46.7000111.8
373K36Very low40.7Very low165 Ų165149.1 Ų149.172%0.71777%0.766SS**  trans-20.7147-179.9-67151.6-160.8143.70121.8
374N36.6Very low42.5Very low168 Ų168146.2 Ų146.290%0.89875%0.754SS**  -162.4123.2115.1-81.1-27.3000111.4
375E34.7Very low44.5Very low172 Ų172147.3 Ų147.380%0.80475%0.745SS**  trans-73175169.6-90-97154.100111.3
376P42.8Very low46.6Very low107 Ų107141.9 Ų141.970%0.69572%0.724SS**  cis-150.5-176.933.837.2-12.1000119.7
377E39.1Very low48.6Very low172 Ų172137.2 Ų137.280%0.80470%0.703SS**  trans84.6125.6161.4-54.3-163.5162.700115.7
378D39.9Very low50.8Low135 Ų135137.2 Ų137.272%0.72270%0.696SS**  cis-16315831.8-163.52.7000109.7
379N46.8Very low53.1Low117 Ų117135.7 Ų135.763%0.62668%0.683SS**  trans96.495166.6-59.1-55.2000121.9
380H53.8Low55Low136 Ų136130.6 Ų130.663%0.6366%0.664SS**  95.692122.8-74.453.3000120.7
381K53.4Low57Low160 Ų160127.3 Ų127.370%0.69665%0.649SS**  74.184.8123.8-62.7166.9-173.6168.60119.9
382H61.9Low59.4Low144 Ų144119.1 Ų119.167%0.66763%0.626SS**  -176.5121.4116.2-81.4-41.6000108.5V386 T387H382-V386 HydrophobicContact CB-CG1 4.29Å; H382-T387 PolarHBondContact O-OG1 3.46Å
383G71Confident61.7Low50 Ų50119.9 Ų119.952%0.51562%0.624SS.*  trans-64.1149.8-175.600000113L385 V386 T387G383-L385 PolarHBondContact O-N 2.94Å; G383-V386 WeakPolarHBondContact O-CA 3.43Å; G383-V386 VanDerWaalsContact O-CB 3.27Å; G383-V386 WeakPolarHBondContact O-CB 3.49Å; G383-V386 PolarHBondContact O-N 3.48Å; G383-T387 PolarHBondContact O-N 2.84Å; G383-T387 PolarHBondContact O-OG1 3.26Å
384G75.4Confident63.7Low56 Ų56118.4 Ų118.458%0.57762%0.617SS**Hα-helixtrans-56.5-23.5-171.100000116.5K388G384-K388 WeakPolarHBondContact O-CB 3.47Å; G384-K388 PolarHBondContact O-N 3.41Å
385L75.9Confident65.5Low130 Ų130114.5 Ų114.568%0.68160%0.597SS**Hα-helixtrans-70.2-42.9169.1-173.772.3000111.4G383 T387 K388 I389G383-L385 PolarHBondContact O-N 2.94Å; L385-T387 VanDerWaalsContact C-N 3.32Å; L385-K388 PolarHBondContact O-N 3.18Å; L385-I389 HydrophobicContact CD1-CD1 4.4Å; L385-I389 HydrophobicContact CD2-CD1 4.23Å; L385-I389 HydrophobicContact CG-CD1 3.79Å; L385-I389 HydrophobicContact CG-CG1 4.41Å; L385-I389 WeakPolarHBondContact O-CB 3.48Å; L385-I389 WeakPolarHBondContact O-CG1 3.29Å; L385-I389 PolarHBondContact O-N 3.32Å
386V77.1Confident67.2Low64 Ų64113.3 Ų113.339%0.38859%0.589SS.*Hα-helixtrans-65.1-37.7175.9-1790000110.4H382 G383 I389 L390H382-V386 HydrophobicContact CB-CG1 4.29Å; G383-V386 WeakPolarHBondContact O-CA 3.43Å; G383-V386 VanDerWaalsContact O-CB 3.27Å; G383-V386 WeakPolarHBondContact O-CB 3.49Å; G383-V386 PolarHBondContact O-N 3.48Å; V386-I389 PolarHBondContact O-N 3.08Å; V386-L390 HydrophobicContact CG1-CD1 3.92Å; V386-L390 HydrophobicContact CG1-CG 4.46Å; V386-L390 VanDerWaalsContact O-CB 3.31Å; V386-L390 WeakPolarHBondContact O-CB 3.5Å; V386-L390 VanDerWaalsContact O-CG 3.29Å; V386-L390 WeakPolarHBondContact O-CG 3.48Å; V386-L390 PolarHBondContact O-N 3.32Å
387T76.5Confident68.2Low71 Ų71114.4 Ų114.444%0.43659%0.585SS.*Hα-helixtrans-65.4-42.9173.7-28.60000111.8H382 G383 L385 L390 Q391H382-T387 PolarHBondContact O-OG1 3.46Å; G383-T387 PolarHBondContact O-N 2.84Å; G383-T387 PolarHBondContact O-OG1 3.26Å; L385-T387 VanDerWaalsContact C-N 3.32Å; T387-L390 PolarHBondContact O-N 3.16Å; T387-Q391 WeakPolarHBondContact O-CB 3.33Å; T387-Q391 PolarHBondContact O-N 3.43Å
388K80Confident69.1Low155 Ų155112 Ų11267%0.67458%0.578SS**Hα-helixtrans-66.7-41.3173.8-83.2179.7178.21770112.3G384 L385 L390 Q391 T392G384-K388 WeakPolarHBondContact O-CB 3.47Å; G384-K388 PolarHBondContact O-N 3.41Å; L385-K388 PolarHBondContact O-N 3.18Å; K388-L390 PolarHBondContact O-N 3.26Å; K388-Q391 PolarHBondContact O-N 3.09Å; K388-T392 WeakPolarHBondContact O-CB 2.85Å; K388-T392 PolarHBondContact O-N 3.41Å; K388-T392 PolarHBondContact O-OG1 3.25Å
389I79.2Confident70.1Confident98 Ų98111.6 Ų111.650%0.50358%0.579SS.*Hα-helixtrans-64-41.2176-69.9166.6000110.5L385 V386 K393L385-I389 HydrophobicContact CD1-CD1 4.4Å; L385-I389 HydrophobicContact CD2-CD1 4.23Å; L385-I389 HydrophobicContact CG-CD1 3.79Å; L385-I389 HydrophobicContact CG-CG1 4.41Å; L385-I389 WeakPolarHBondContact O-CB 3.48Å; L385-I389 WeakPolarHBondContact O-CG1 3.29Å; L385-I389 PolarHBondContact O-N 3.32Å; V386-I389 PolarHBondContact O-N 3.08Å; I389-K393 WeakPolarHBondContact O-CB 3.43Å; I389-K393 PolarHBondContact O-N 2.88Å
390L78.9Confident70.4Confident91 Ų91110.2 Ų110.248%0.47658%0.579SS.*Hα-helixtrans-67.5-37.9175.9-76.8166000112.3V386 T387 K388 K394V386-L390 HydrophobicContact CG1-CD1 3.92Å; V386-L390 HydrophobicContact CG1-CG 4.46Å; V386-L390 VanDerWaalsContact O-CB 3.31Å; V386-L390 WeakPolarHBondContact O-CB 3.5Å; V386-L390 VanDerWaalsContact O-CG 3.29Å; V386-L390 WeakPolarHBondContact O-CG 3.48Å; V386-L390 PolarHBondContact O-N 3.32Å; T387-L390 PolarHBondContact O-N 3.16Å; K388-L390 PolarHBondContact O-N 3.26Å; L390-K394 WeakPolarHBondContact O-CB 3.37Å; L390-K394 PolarHBondContact O-N 3.44Å
391Q75.8Confident70Confident114 Ų114108.3 Ų108.353%0.53358%0.577SS.*Hα-helixtrans-65.8-48.5174.4-163.682.318.700110.9T387 K388 K393 K394 D395T387-Q391 WeakPolarHBondContact O-CB 3.33Å; T387-Q391 PolarHBondContact O-N 3.43Å; K388-Q391 PolarHBondContact O-N 3.09Å; Q391-K393 VanDerWaalsContact C-N 3.33Å; Q391-K393 PolarHBondContact O-N 3.21Å; Q391-K394 WeakPolarHBondContact O-CB 3.17Å; Q391-K394 PolarHBondContact O-N 2.9Å; Q391-D395 VanDerWaalsContact O-CG 3.25Å; Q391-D395 PolarHBondContact O-N 3.43Å
392T81.7Confident69.4Low75 Ų75107.8 Ų107.846%0.4658%0.579SS.*Hα-helixtrans-67-33177.9-50.60000112K388 D395 F396K388-T392 WeakPolarHBondContact O-CB 2.85Å; K388-T392 PolarHBondContact O-N 3.41Å; K388-T392 PolarHBondContact O-OG1 3.25Å; T392-D395 PolarHBondContact O-N 3.01Å; T392-F396 HydrophobicContact CG2-CD2 3.98Å; T392-F396 HydrophobicContact CG2-CE2 4.21Å; T392-F396 WeakPolarHBondContact O-CB 3.41Å; T392-F396 WeakPolarHBondContact O-CD2 3.37Å; T392-F396 PolarHBondContact O-N 3.05Å
393K78.5Confident68.5Low137 Ų137109.1 Ų109.160%0.59659%0.591SS**Hα-helixtrans-66.1-39.6173.1-168.3179.7179.9-175.90111.4I389 Q391 F396 E397I389-K393 WeakPolarHBondContact O-CB 3.43Å; I389-K393 PolarHBondContact O-N 2.88Å; Q391-K393 VanDerWaalsContact C-N 3.33Å; Q391-K393 PolarHBondContact O-N 3.21Å; K393-F396 PolarHBondContact O-N 3.48Å; K393-E397 PolarHBondContact O-N 2.98Å
394K79.4Confident67.2Low135 Ų135116 Ų11659%0.58760%0.601SS**Hα-helixtrans-65.7-37.7173.7-173.2170.3-176.5170.70112.4L390 Q391 N398L390-K394 WeakPolarHBondContact O-CB 3.37Å; L390-K394 PolarHBondContact O-N 3.44Å; Q391-K394 WeakPolarHBondContact O-CB 3.17Å; Q391-K394 PolarHBondContact O-N 2.9Å; K394-N398 PolarHBondContact O-N 2.89Å
395D72.8Confident65.5Low86 Ų86120.5 Ų120.546%0.4661%0.608SS.*Hα-helixtrans-73.4-27.1177.6-62.8-26.3000112.5Q391 T392 V399Q391-D395 VanDerWaalsContact O-CG 3.25Å; Q391-D395 PolarHBondContact O-N 3.43Å; T392-D395 PolarHBondContact O-N 3.01Å; D395-V399 WeakPolarHBondContact O-CG2 3.38Å
396F70.9Confident63.8Low146 Ų146119.1 Ų119.164%0.6461%0.608SS**Hα-helixtrans-82.7-31.9174.6-99.5-93.4000114.2T392 K393 N398 V399 S400T392-F396 HydrophobicContact CG2-CD2 3.98Å; T392-F396 HydrophobicContact CG2-CE2 4.21Å; T392-F396 WeakPolarHBondContact O-CB 3.41Å; T392-F396 WeakPolarHBondContact O-CD2 3.37Å; T392-F396 PolarHBondContact O-N 3.05Å; K393-F396 PolarHBondContact O-N 3.48Å; F396-N398 VanDerWaalsContact C-N 3.31Å; F396-V399 PolarHBondContact O-N 3.4Å; F396-S400 PolarHBondContact O-N 3.04Å; F396-S400 PolarHBondContact O-OG 3.41Å
397E64Low62.1Low130 Ų130123.6 Ų123.661%0.60763%0.629SS**Hα-helixtrans-65.7-36.6174.3-122.3171.5179.200111.1K393 V399 S400 T401K393-E397 PolarHBondContact O-N 2.98Å; E397-V399 VanDerWaalsContact C-N 3.28Å; E397-V399 PolarHBondContact O-N 2.97Å; E397-S400 PolarHBondContact O-N 3.41Å; E397-T401 PolarHBondContact O-OG1 3.26Å
398N58.5Low60.4Low123 Ų123130.1 Ų130.166%0.65865%0.652SS**Hα-helixtrans-71.1-15.9177.7-82.6-2.5000114.8K394 F396K394-N398 PolarHBondContact O-N 2.89Å; F396-N398 VanDerWaalsContact C-N 3.31Å
399V60.9Low58.3Low125 Ų125131.7 Ų131.776%0.75866%0.661SS**Hα-helixtrans-96.5-13.6178.6177.10000111.9D395 F396 E397D395-V399 WeakPolarHBondContact O-CG2 3.38Å; F396-V399 PolarHBondContact O-N 3.4Å; E397-V399 VanDerWaalsContact C-N 3.28Å; E397-V399 PolarHBondContact O-N 2.97Å
400S52.3Low56.6Low89 Ų89135.7 Ų135.762%0.62268%0.678SS**Hα-helixtrans-104.4-14.9-170.5-55.40000114.7F396 E397 M402F396-S400 PolarHBondContact O-N 3.04Å; F396-S400 PolarHBondContact O-OG 3.41Å; E397-S400 PolarHBondContact O-N 3.41Å; S400-M402 PolarHBondContact O-N 2.87Å
401T45.7Very low54.9Low96 Ų96137 Ų13759%0.58969%0.692SS**SBendtrans-94.697.1172.737.70000111.7E397E397-T401 PolarHBondContact O-OG1 3.26Å
402M41.5Very low53.4Low149 Ų149136.8 Ų136.873%0.73470%0.703SS**  trans70.268.9140.2-41.8-53.3171.400115.2S400 R404S400-M402 PolarHBondContact O-N 2.87Å; M402-R404 PolarHBondContact O-N 2.87Å
403N43.1Very low52Low172 Ų172136 Ų13692%0.9271%0.71SS**  -10.679.186.6-148.514.2000113.5
404R42.8Very low51Low193 Ų193137 Ų13773%0.72872%0.721SS**  trans166.2110.9143-171.7163.1176.6175.2-0.7113.1M402M402-R404 PolarHBondContact O-N 2.87Å
405E40Very low50.2Low152 Ų152135 Ų13571%0.7172%0.717SS**  trans77.2106.5145-72.5161.9168.400121.5
406S39.5Very low49.9Very low100 Ų100136.4 Ų136.470%0.69972%0.72SS**  88.6102.8127.1-78.40000121
407L42.8Very low49.9Very low158 Ų158132.6 Ų132.683%0.82772%0.716SS**  64.185.3129.9-63.8160.4000117
408K39.8Very low50.5Low208 Ų208129.2 Ų129.290%0.90471%0.71SS**  trans-170.3139.2131.3-104.7162.2-176.1-179.40111.6
409E36.6Very low51.5Low188 Ų188127.8 Ų127.888%0.87970%0.698SS**  trans-46.2129.3-178.9-62.1157.315800114.4
410Q42.4Very low52.3Low182 Ų182127.1 Ų127.185%0.8569%0.687SS**  trans-159.8128.5144.5-90.8-135.222.200110.6S412Q410-S412 PolarHBondContact O-N 3.29Å
411P44.1Very low53.6Low120 Ų120132 Ų13278%0.77969%0.692SS**  trans-81.3117.717831.7-29.1000110.2G413P411-G413 PolarHBondContact O-N 3.45Å
412S43.6Very low55.3Low109 Ų109133.6 Ų133.676%0.76269%0.692SS**  trans-70.193.5171.752.50000110.5Q410 L414Q410-S412 PolarHBondContact O-N 3.29Å; S412-L414 PolarHBondContact O-N 2.97Å
413G53.4Low57.4Low58 Ų58132 Ų13260%0.59868%0.681SS**THydrogen-bonded Turntrans-72.630.9-17300000117.8P411P411-G413 PolarHBondContact O-N 3.45Å
414L57.9Low59.5Low159 Ų159125.6 Ų125.683%0.83265%0.653SS**THydrogen-bonded Turntrans-107.2-24.3178.4-68.6174.4000114.3S412S412-L414 PolarHBondContact O-N 2.97Å
415D62.1Low61.6Low92 Ų92120.9 Ų120.949%0.49264%0.641SS.*Hα-helixtrans-84.9-29178.6-163.439.1000112.7A417 A418 K419D415-A417 VanDerWaalsContact C-N 3.31Å; D415-A417 PolarHBondContact O-N 3.22Å; D415-A418 PolarHBondContact O-N 2.89Å; D415-K419 PolarHBondContact O-N 2.88Å; D415-K419 IonicContact OD2-NZ 2.74Å; D415-K419 PolarHBondContact OD2-NZ 3.47Å
416E65.5Low64Low115 Ų115117.8 Ų117.854%0.53763%0.629SS.*Hα-helixtrans-64-34.5175.2-80.2-61.7129.400112.2A418 K419 E420E416-A418 VanDerWaalsContact C-N 3.35Å; E416-A418 PolarHBondContact O-N 2.93Å; E416-K419 PolarHBondContact O-N 3.06Å; E416-E420 WeakPolarHBondContact O-CB 3.45Å; E416-E420 PolarHBondContact O-N 3.49Å
417A72.2Confident66.4Low66 Ų66120.2 Ų120.255%0.54563%0.627SS.*Hα-helixtrans-67.3-33.8179.800000113D415 R421D415-A417 VanDerWaalsContact C-N 3.31Å; D415-A417 PolarHBondContact O-N 3.22Å; A417-R421 WeakPolarHBondContact O-CB 3.16Å; A417-R421 PolarHBondContact O-N 3.17Å; A417-R421 VanDerWaalsContact O-N 3.14Å
418A76.4Confident68.7Low59 Ų59118.9 Ų118.949%0.48862%0.615SS.*Hα-helixtrans-73.5-46.2177.300000111.4D415 E416 E420 R421 E422D415-A418 PolarHBondContact O-N 2.89Å; E416-A418 VanDerWaalsContact C-N 3.35Å; E416-A418 PolarHBondContact O-N 2.93Å; A418-E420 VanDerWaalsContact C-N 3.31Å; A418-E420 PolarHBondContact O-N 2.99Å; A418-R421 PolarHBondContact O-N 2.88Å; A418-E422 PolarHBondContact O-N 3.36Å
419K78Confident71.2Confident94 Ų94114.6 Ų114.641%0.40960%0.598SS.*Hα-helixtrans-61.2-39174.4-73.9169.4177.1154.40112D415 E416 R421 E422 K423D415-K419 PolarHBondContact O-N 2.88Å; D415-K419 IonicContact OD2-NZ 2.74Å; D415-K419 PolarHBondContact OD2-NZ 3.47Å; E416-K419 PolarHBondContact O-N 3.06Å; K419-R421 VanDerWaalsContact C-N 3.35Å; K419-E422 PolarHBondContact O-N 3Å; K419-K423 WeakPolarHBondContact O-CB 3.43Å; K419-K423 VanDerWaalsContact O-CG 3.27Å; K419-K423 WeakPolarHBondContact O-CG 3.31Å; K419-K423 PolarHBondContact O-N 2.72Å
420E78.7Confident73.9Confident111 Ų111110.5 Ų110.552%0.51958%0.581SS.*Hα-helixtrans-67.5-35.5176.8-168.958.8-156.900111.8E416 A418 A424E416-E420 WeakPolarHBondContact O-CB 3.45Å; E416-E420 PolarHBondContact O-N 3.49Å; A418-E420 VanDerWaalsContact C-N 3.31Å; A418-E420 PolarHBondContact O-N 2.99Å; E420-A424 VanDerWaalsContact O-CB 3.24Å; E420-A424 WeakPolarHBondContact O-CB 3.3Å; E420-A424 PolarHBondContact O-N 2.81Å
421R80.5Confident76.2Confident191 Ų191104.7 Ų104.772%0.72156%0.56SS**Hα-helixtrans-67.5-40.9174.4-171.1176.3179.5166.6-0.4112.4A417 A418 K419 A424 L425A417-R421 WeakPolarHBondContact O-CB 3.16Å; A417-R421 PolarHBondContact O-N 3.17Å; A417-R421 VanDerWaalsContact O-N 3.14Å; A418-R421 PolarHBondContact O-N 2.88Å; K419-R421 VanDerWaalsContact C-N 3.35Å; R421-A424 PolarHBondContact O-N 3.43Å; R421-L425 WeakPolarHBondContact O-CG 3.37Å; R421-L425 PolarHBondContact O-N 3.39Å
422E80.8Confident78.5Confident129 Ų129107.3 Ų107.360%0.60356%0.555SS**Hα-helixtrans-66.1-45.6176-168.9179.8178.100111.4A418 K419 A424 L425 L426A418-E422 PolarHBondContact O-N 3.36Å; K419-E422 PolarHBondContact O-N 3Å; E422-A424 VanDerWaalsContact C-N 3.28Å; E422-A424 PolarHBondContact O-N 2.78Å; E422-L425 PolarHBondContact O-N 3.06Å; E422-L425 VanDerWaalsContact O-N 3.15Å; E422-L426 PolarHBondContact O-N 2.91Å
423K86.2Confident80.9Confident115 Ų115108.2 Ų108.250%0.555%0.55SS.*Hα-helixtrans-57.8-40.1171.8-73173.3-175.4172.70111.9K419 K427K419-K423 WeakPolarHBondContact O-CB 3.43Å; K419-K423 VanDerWaalsContact O-CG 3.27Å; K419-K423 WeakPolarHBondContact O-CG 3.31Å; K419-K423 PolarHBondContact O-N 2.72Å; K423-K427 VanDerWaalsContact O-CB 3.23Å; K423-K427 WeakPolarHBondContact O-CB 3.35Å; K423-K427 PolarHBondContact O-N 3.07Å
424A86.5Confident82.8Confident39 Ų39108.6 Ų108.632%0.32254%0.543SS..Hα-helixtrans-67.7-34.8177.500000112.9E420 R421 E422 K428E420-A424 VanDerWaalsContact O-CB 3.24Å; E420-A424 WeakPolarHBondContact O-CB 3.3Å; E420-A424 PolarHBondContact O-N 2.81Å; R421-A424 PolarHBondContact O-N 3.43Å; E422-A424 VanDerWaalsContact C-N 3.28Å; E422-A424 PolarHBondContact O-N 2.78Å; A424-K428 VanDerWaalsContact O-CG 3.27Å; A424-K428 WeakPolarHBondContact O-CG 3.45Å; A424-K428 PolarHBondContact O-N 3.46Å; A424-K428 VanDerWaalsContact O-N 3.11Å
425L87.3Confident84.5Confident93 Ų93105.5 Ų105.549%0.48753%0.527SS..Hα-helixtrans-70.1-47.6174.3-73.3173.3000111.5R421 E422 K427 K428 E429R421-L425 WeakPolarHBondContact O-CG 3.37Å; R421-L425 PolarHBondContact O-N 3.39Å; E422-L425 PolarHBondContact O-N 3.06Å; E422-L425 VanDerWaalsContact O-N 3.15Å; L425-K427 VanDerWaalsContact C-N 3.3Å; L425-K427 PolarHBondContact O-N 3.16Å; L425-K428 WeakPolarHBondContact O-CB 3.41Å; L425-K428 PolarHBondContact O-N 3.2Å; L425-K428 VanDerWaalsContact O-N 3.07Å; L425-E429 PolarHBondContact O-N 2.89Å
426L89Confident86Confident88 Ų88104.8 Ų104.846%0.46153%0.53SS..Hα-helixtrans-59.3-41.8174.9-72.6172.7000111.5E422 K428 E429 I430E422-L426 PolarHBondContact O-N 2.91Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 2.94Å; L426-E429 PolarHBondContact O-N 3.29Å; L426-I430 WeakPolarHBondContact O-CB 3.33Å; L426-I430 WeakPolarHBondContact O-CD1 3.3Å; L426-I430 WeakPolarHBondContact O-CG1 3.24Å; L426-I430 PolarHBondContact O-N 3.35Å
427K91.4Very high87.3Confident150 Ų150104.8 Ų104.865%0.65253%0.533SS*.Hα-helixtrans-61.4-39.2174.9-171.4175.1-179.3179.30112K423 L425 S431K423-K427 VanDerWaalsContact O-CB 3.23Å; K423-K427 WeakPolarHBondContact O-CB 3.35Å; K423-K427 PolarHBondContact O-N 3.07Å; L425-K427 VanDerWaalsContact C-N 3.3Å; L425-K427 PolarHBondContact O-N 3.16Å; K427-S431 WeakPolarHBondContact O-CB 3.48Å; K427-S431 PolarHBondContact O-N 2.95Å; K427-S431 PolarHBondContact O-OG 2.87Å; K427-S431 VanDerWaalsContact O-OG 3.09Å
428K90.2Very high88.2Confident131 Ų131106.1 Ų106.157%0.5753%0.528SS*.Hα-helixtrans-66.4-40.6174.7-75.3171.8-177.5-179.80112.2A424 L425 L426 S431 R432A424-K428 VanDerWaalsContact O-CG 3.27Å; A424-K428 WeakPolarHBondContact O-CG 3.45Å; A424-K428 PolarHBondContact O-N 3.46Å; A424-K428 VanDerWaalsContact O-N 3.11Å; L425-K428 WeakPolarHBondContact O-CB 3.41Å; L425-K428 PolarHBondContact O-N 3.2Å; L425-K428 VanDerWaalsContact O-N 3.07Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 2.94Å; K428-S431 PolarHBondContact O-N 3.36Å; K428-R432 WeakPolarHBondContact O-CG 3.16Å; K428-R432 PolarHBondContact O-N 3.06Å
429E92.5Very high88.9Confident118 Ų118107.7 Ų107.755%0.55153%0.531SS*.Hα-helixtrans-67.4-42.9176.4-74.5177.5179.600112.1L425 L426 S431 R432 L433L425-E429 PolarHBondContact O-N 2.89Å; L426-E429 PolarHBondContact O-N 3.29Å; E429-S431 VanDerWaalsContact C-N 3.34Å; E429-S431 PolarHBondContact O-N 2.99Å; E429-R432 PolarHBondContact O-N 3.42Å; E429-L433 WeakPolarHBondContact O-CB 3.34Å; E429-L433 PolarHBondContact O-N 2.71Å
430I92.6Very high89.6Confident101 Ų101108.4 Ų108.452%0.51854%0.539SS..Hα-helixtrans-60.4-44.4173.3-67.7162.8000110.2L426 R432 L433 C434L426-I430 WeakPolarHBondContact O-CB 3.33Å; L426-I430 WeakPolarHBondContact O-CD1 3.3Å; L426-I430 WeakPolarHBondContact O-CG1 3.24Å; L426-I430 PolarHBondContact O-N 3.35Å; I430-R432 PolarHBondContact O-N 2.95Å; I430-L433 PolarHBondContact O-N 3.23Å; I430-C434 WeakPolarHBondContact O-CB 3.49Å; I430-C434 PolarHBondContact O-N 3.15Å; I430-C434 PolarHBondContact O-SG 3.29Å
431S91.2Very high90Very high60 Ų60105.8 Ų105.842%0.4253%0.533SS..Hα-helixtrans-60.7-43.9175-69.50000112.3K427 K428 E429 L433 C434 D435K427-S431 WeakPolarHBondContact O-CB 3.48Å; K427-S431 PolarHBondContact O-N 2.95Å; K427-S431 PolarHBondContact O-OG 2.87Å; K427-S431 VanDerWaalsContact O-OG 3.09Å; K428-S431 PolarHBondContact O-N 3.36Å; E429-S431 VanDerWaalsContact C-N 3.34Å; E429-S431 PolarHBondContact O-N 2.99Å; S431-L433 VanDerWaalsContact C-N 3.34Å; S431-L433 PolarHBondContact O-N 3.2Å; S431-C434 WeakPolarHBondContact O-CB 3.42Å; S431-C434 PolarHBondContact O-N 3.01Å; S431-D435 VanDerWaalsContact O-CG 3.28Å; S431-D435 PolarHBondContact O-N 3.4Å
432R92.1Very high90.4Very high176 Ų176104.6 Ų104.666%0.66453%0.529SS*.Hα-helixtrans-62.8-39175.4-74.3175.5179.7167.9-1.7112.8K428 E429 I430 D435 S436K428-R432 WeakPolarHBondContact O-CG 3.16Å; K428-R432 PolarHBondContact O-N 3.06Å; E429-R432 PolarHBondContact O-N 3.42Å; I430-R432 PolarHBondContact O-N 2.95Å; R432-D435 PolarHBondContact O-N 3.25Å; R432-S436 WeakPolarHBondContact O-CB 3.35Å; R432-S436 PolarHBondContact O-N 3.48Å; R432-S436 PolarHBondContact O-OG 2.97Å
433L93.9Very high90.9Very high127 Ų127101.5 Ų101.567%0.66552%0.521SS*.Hα-helixtrans-64.5-44.6175.5-17084.9000110.5E429 I430 S431 S436 L437E429-L433 WeakPolarHBondContact O-CB 3.34Å; E429-L433 PolarHBondContact O-N 2.71Å; I430-L433 PolarHBondContact O-N 3.23Å; S431-L433 VanDerWaalsContact C-N 3.34Å; S431-L433 PolarHBondContact O-N 3.2Å; L433-S436 PolarHBondContact O-N 3.17Å; L433-L437 WeakPolarHBondContact O-CB 3.39Å; L433-L437 PolarHBondContact O-N 3.01Å
434C94.1Very high91.2Very high67 Ų6798.3 Ų98.345%0.45352%0.516SS..Hα-helixtrans-60.6-44175.3-73.80000112I430 S431 S436 L437 Q438I430-C434 WeakPolarHBondContact O-CB 3.49Å; I430-C434 PolarHBondContact O-N 3.15Å; I430-C434 PolarHBondContact O-SG 3.29Å; S431-C434 WeakPolarHBondContact O-CB 3.42Å; S431-C434 PolarHBondContact O-N 3.01Å; C434-S436 VanDerWaalsContact C-N 3.33Å; C434-S436 PolarHBondContact O-N 3.35Å; C434-L437 PolarHBondContact O-N 3.29Å; C434-Q438 VanDerWaalsContact O-CB 3.26Å; C434-Q438 WeakPolarHBondContact O-CB 3.39Å; C434-Q438 PolarHBondContact O-N 3.3Å
435D93.2Very high91.1Very high93 Ų93101.7 Ų101.750%0.49753%0.528SS..Hα-helixtrans-64.1-38.6176.9-68.6-23.3000111.7S431 R432 Q438 T439S431-D435 VanDerWaalsContact O-CG 3.28Å; S431-D435 PolarHBondContact O-N 3.4Å; R432-D435 PolarHBondContact O-N 3.25Å; D435-Q438 PolarHBondContact O-N 3.42Å; D435-T439 WeakPolarHBondContact O-CB 3.3Å; D435-T439 PolarHBondContact O-N 3.35Å; D435-T439 PolarHBondContact O-OG1 2.92Å
436S93.4Very high91.2Very high77 Ų77101 Ų10154%0.53853%0.529SS..Hα-helixtrans-67.1-44.2176-57.40000111.6R432 L433 C434 T439 L440R432-S436 WeakPolarHBondContact O-CB 3.35Å; R432-S436 PolarHBondContact O-N 3.48Å; R432-S436 PolarHBondContact O-OG 2.97Å; L433-S436 PolarHBondContact O-N 3.17Å; C434-S436 VanDerWaalsContact C-N 3.33Å; C434-S436 PolarHBondContact O-N 3.35Å; S436-T439 PolarHBondContact O-N 3.42Å; S436-L440 WeakPolarHBondContact O-CB 3.17Å; S436-L440 PolarHBondContact O-N 2.92Å
437L93.4Very high91.2Very high116 Ų116102.3 Ų102.361%0.60754%0.535SS*.Hα-helixtrans-65.7-37.9175.2-177.564.9000111.7L433 C434 T439 L440 S441L433-L437 WeakPolarHBondContact O-CB 3.39Å; L433-L437 PolarHBondContact O-N 3.01Å; C434-L437 PolarHBondContact O-N 3.29Å; L437-T439 VanDerWaalsContact C-N 3.34Å; L437-L440 PolarHBondContact O-N 2.78Å; L437-S441 WeakPolarHBondContact O-CB 3.22Å; L437-S441 PolarHBondContact O-N 3.43Å; L437-S441 PolarHBondContact O-OG 2.75Å
438Q91.9Very high91.1Very high94 Ų9498.7 Ų98.744%0.43953%0.529SS..Hα-helixtrans-67.9-37.1175.7-166.1176.330.200111.1C434 D435 S441 R442C434-Q438 VanDerWaalsContact O-CB 3.26Å; C434-Q438 WeakPolarHBondContact O-CB 3.39Å; C434-Q438 PolarHBondContact O-N 3.3Å; D435-Q438 PolarHBondContact O-N 3.42Å; Q438-S441 WeakPolarHBondContact CA-OG 3.34Å; Q438-S441 PolarHBondContact O-OG 3.47Å; Q438-R442 VanDerWaalsContact NE2-NH2 3.12Å; Q438-R442 VanDerWaalsContact O-CB 3.32Å; Q438-R442 WeakPolarHBondContact O-CB 3.48Å; Q438-R442 WeakPolarHBondContact O-CG 3.28Å; Q438-R442 PolarHBondContact O-N 3.38Å
439T90.7Very high90.9Very high91 Ų9198.8 Ų98.856%0.55853%0.529SS*.Hα-helixtrans-67.7-44.7174.8-58.10000111.1D435 S436 L437 R442 S443D435-T439 WeakPolarHBondContact O-CB 3.3Å; D435-T439 PolarHBondContact O-N 3.35Å; D435-T439 PolarHBondContact O-OG1 2.92Å; S436-T439 PolarHBondContact O-N 3.42Å; L437-T439 VanDerWaalsContact C-N 3.34Å; T439-R442 PolarHBondContact O-N 3.03Å; T439-S443 PolarHBondContact O-N 3.04Å; T439-S443 PolarHBondContact O-OG 3.42Å
440L91.6Very high90.8Very high110 Ų11097.6 Ų97.658%0.57653%0.527SS*.Hα-helixtrans-61-47.2176.3-177.961000111.3S436 L437 R442 S443 A444S436-L440 WeakPolarHBondContact O-CB 3.17Å; S436-L440 PolarHBondContact O-N 2.92Å; L437-L440 PolarHBondContact O-N 2.78Å; L440-R442 PolarHBondContact O-N 3Å; L440-S443 CarbonylContact O-C 3.52Å; L440-S443 PolarHBondContact O-N 3.2Å; L440-S443 VanDerWaalsContact O-N 3.09Å; L440-S443 PolarHBondContact O-OG 2.88Å; L440-A444 WeakPolarHBondContact O-CB 3.44Å; L440-A444 PolarHBondContact O-N 2.98Å
441S87.6Confident90.6Very high56 Ų5699.1 Ų99.139%0.39253%0.533SS..Hα-helixtrans-64.1-38.7177.156.20000112.7L437 Q438 S443 A444L437-S441 WeakPolarHBondContact O-CB 3.22Å; L437-S441 PolarHBondContact O-N 3.43Å; L437-S441 PolarHBondContact O-OG 2.75Å; Q438-S441 WeakPolarHBondContact CA-OG 3.34Å; Q438-S441 PolarHBondContact O-OG 3.47Å; S441-S443 VanDerWaalsContact C-N 3.27Å; S441-S443 PolarHBondContact O-N 3Å; S441-A444 PolarHBondContact O-N 2.85Å
442R88.4Confident90.4Very high166 Ų166101.6 Ų101.663%0.62654%0.541SS*.Hα-helixtrans-62.9-31.6172-75.7174.1-177.1-1806112.7Q438 T439 L440 P446Q438-R442 VanDerWaalsContact NE2-NH2 3.12Å; Q438-R442 VanDerWaalsContact O-CB 3.32Å; Q438-R442 WeakPolarHBondContact O-CB 3.48Å; Q438-R442 WeakPolarHBondContact O-CG 3.28Å; Q438-R442 PolarHBondContact O-N 3.38Å; T439-R442 PolarHBondContact O-N 3.03Å; L440-R442 PolarHBondContact O-N 3Å; R442-P446 WeakPolarHBondContact O-CD 3.23Å
443S91.3Very high90.3Very high63 Ų6398.5 Ų98.544%0.44153%0.533SS..Hα-helixtrans-84-28.4177.372.10000114.3T439 L440 S441 P446 L447T439-S443 PolarHBondContact O-N 3.04Å; T439-S443 PolarHBondContact O-OG 3.42Å; L440-S443 CarbonylContact O-C 3.52Å; L440-S443 PolarHBondContact O-N 3.2Å; L440-S443 VanDerWaalsContact O-N 3.09Å; L440-S443 PolarHBondContact O-OG 2.88Å; S441-S443 VanDerWaalsContact C-N 3.27Å; S441-S443 PolarHBondContact O-N 3Å; S443-P446 WeakPolarHBondContact O-CD 3.34Å; S443-L447 PolarHBondContact O-N 3.22Å
444A92.8Very high90.1Very high48 Ų4895.3 Ų95.340%0.39752%0.519SS..Hα-helixtrans-69.9-34.4-178.600000112.8L440 S441 L447 S448L440-A444 WeakPolarHBondContact O-CB 3.44Å; L440-A444 PolarHBondContact O-N 2.98Å; S441-A444 PolarHBondContact O-N 2.85Å; A444-L447 PolarHBondContact O-N 3.3Å; A444-S448 PolarHBondContact O-N 2.84Å
445I85.5Confident89.8Confident111 Ų11198.5 Ų98.557%0.56953%0.527SS*.Hα-helixtrans-66.4-49.4-179.4-60.7162.1000111.7L447 S448 K449I445-L447 VanDerWaalsContact C-N 3.32Å; I445-L447 PolarHBondContact O-N 3Å; I445-S448 PolarHBondContact O-N 3.09Å; I445-K449 PolarHBondContact O-N 2.93Å
446P88.8Confident89.7Confident79 Ų7999.9 Ų99.951%0.51353%0.53SS..Hα-helixtrans-59.9-39172.2-24.733.7000113.4R442 S443 S448 K449 L450R442-P446 WeakPolarHBondContact O-CD 3.23Å; S443-P446 WeakPolarHBondContact O-CD 3.34Å; P446-S448 VanDerWaalsContact C-N 3.35Å; P446-K449 PolarHBondContact O-N 3.17Å; P446-L450 PolarHBondContact O-N 2.71Å
447L89.5Confident89.7Confident114 Ų114100.5 Ų100.560%0.59753%0.528SS*.Hα-helixtrans-64.6-39.4178.3-176.562.5000111.8S443 A444 I445 K449 L450 M451S443-L447 PolarHBondContact O-N 3.22Å; A444-L447 PolarHBondContact O-N 3.3Å; I445-L447 VanDerWaalsContact C-N 3.32Å; I445-L447 PolarHBondContact O-N 3Å; L447-K449 VanDerWaalsContact C-N 3.3Å; L447-K449 PolarHBondContact O-N 2.87Å; L447-L450 HydrophobicContact CD1-CD2 4.47Å; L447-L450 PolarHBondContact O-N 3.17Å; L447-L450 VanDerWaalsContact O-N 3.17Å; L447-M451 PolarHBondContact O-N 3.43Å
448S87.5Confident89.7Confident74 Ų74100.4 Ų100.452%0.51753%0.527SS..Hα-helixtrans-58.9-42174-175.60000111.8A444 I445 P446 M451 D452A444-S448 PolarHBondContact O-N 2.84Å; I445-S448 PolarHBondContact O-N 3.09Å; P446-S448 VanDerWaalsContact C-N 3.35Å; S448-M451 WeakPolarHBondContact O-CB 3.49Å; S448-M451 PolarHBondContact O-N 3.35Å; S448-D452 PolarHBondContact O-N 3.26Å
449K87.4Confident89.7Confident133 Ų133100.5 Ų100.558%0.57853%0.528SS*.Hα-helixtrans-68-37175.8-68.9-175.2179.1-176.50112.2I445 P446 L447 M451 D452 F453I445-K449 PolarHBondContact O-N 2.93Å; P446-K449 PolarHBondContact O-N 3.17Å; L447-K449 VanDerWaalsContact C-N 3.3Å; L447-K449 PolarHBondContact O-N 2.87Å; K449-M451 VanDerWaalsContact C-N 3.27Å; K449-M451 PolarHBondContact O-N 3.32Å; K449-D452 PolarHBondContact O-N 3.13Å; K449-F453 WeakPolarHBondContact O-CD2 3.32Å; K449-F453 WeakPolarHBondContact O-CE2 3.12Å
450L89.1Confident89.9Confident94 Ų9499.4 Ų99.449%0.49252%0.521SS..Hα-helixtrans-63.5-38.2175.2-175.861.8000110.8P446 L447 D452 F453 V454P446-L450 PolarHBondContact O-N 2.71Å; L447-L450 HydrophobicContact CD1-CD2 4.47Å; L447-L450 PolarHBondContact O-N 3.17Å; L447-L450 VanDerWaalsContact O-N 3.17Å; L450-D452 PolarHBondContact O-N 2.77Å; L450-F453 PolarHBondContact O-N 3.24Å; L450-V454 WeakPolarHBondContact O-CG2 3.11Å; L450-V454 PolarHBondContact O-N 3.16Å; L450-V454 VanDerWaalsContact O-N 3.09Å
451M89.1Confident89.9Confident132 Ų132100.6 Ų100.665%0.6553%0.525SS*.Hα-helixtrans-59.5-32.2178.4-165.866.6-171.200113L447 S448 K449 F453 V454L447-M451 PolarHBondContact O-N 3.43Å; S448-M451 WeakPolarHBondContact O-CB 3.49Å; S448-M451 PolarHBondContact O-N 3.35Å; K449-M451 VanDerWaalsContact C-N 3.27Å; K449-M451 PolarHBondContact O-N 3.32Å; M451-F453 VanDerWaalsContact C-N 3.29Å; M451-F453 PolarHBondContact O-N 3.26Å; M451-V454 PolarHBondContact O-N 2.89Å
452D86.8Confident90.2Very high112 Ų112102.6 Ų102.660%0.59953%0.528SS*.Hα-helixtrans-65-32.9175.5-62.3-34.4000111.9S448 K449 L450S448-D452 PolarHBondContact O-N 3.26Å; K449-D452 PolarHBondContact O-N 3.13Å; L450-D452 PolarHBondContact O-N 2.77Å
453F89.3Confident90.5Very high111 Ų111101.2 Ų101.249%0.48753%0.529SS..Hα-helixtrans-88-20.3179.6-58.4-67.8000113.7K449 L450 M451 Q455 E456 D457K449-F453 WeakPolarHBondContact O-CD2 3.32Å; K449-F453 WeakPolarHBondContact O-CE2 3.12Å; L450-F453 PolarHBondContact O-N 3.24Å; M451-F453 VanDerWaalsContact C-N 3.29Å; M451-F453 PolarHBondContact O-N 3.26Å; F453-Q455 PolarHBondContact O-N 2.88Å; F453-E456 PolarHBondContact O-N 3.18Å; F453-E456 VanDerWaalsContact O-N 3.1Å; F453-D457 WeakPolarHBondContact O-CB 3.38Å; F453-D457 PolarHBondContact O-N 3.23Å
454V90.7Very high90.6Very high61 Ų61101.1 Ų101.137%0.3752%0.522SS..Hα-helixtrans-56.9-36.7-178.7168.40000111.7L450 M451 L458L450-V454 WeakPolarHBondContact O-CG2 3.11Å; L450-V454 PolarHBondContact O-N 3.16Å; L450-V454 VanDerWaalsContact O-N 3.09Å; M451-V454 PolarHBondContact O-N 2.89Å; V454-L458 WeakPolarHBondContact O-CB 3.02Å; V454-L458 PolarHBondContact O-N 3Å
455Q87.5Confident90.6Very high134 Ų134104.2 Ų104.263%0.62653%0.527SS*.Hα-helixtrans-66.2-45.9178.2-171.4179.9-16.300111.5F453 L458 E459F453-Q455 PolarHBondContact O-N 2.88Å; Q455-L458 PolarHBondContact O-N 2.87Å; Q455-E459 PolarHBondContact NE2-OE1 3.3Å; Q455-E459 WeakPolarHBondContact O-CG 3.35Å; Q455-E459 PolarHBondContact O-N 3.08Å
456E90.4Very high91.1Very high121 Ų121103.1 Ų103.157%0.56552%0.519SS*.Hα-helixtrans-65-41.7177.7-63.3-178.5178.900111.6F453 E459 T460F453-E456 PolarHBondContact O-N 3.18Å; F453-E456 VanDerWaalsContact O-N 3.1Å; E456-E459 PolarHBondContact O-N 3.19Å; E456-T460 VanDerWaalsContact O-CB 3.27Å; E456-T460 WeakPolarHBondContact O-CB 3.39Å; E456-T460 PolarHBondContact O-N 3.03Å; E456-T460 PolarHBondContact O-OG1 3.21Å
457D93.3Very high91.4Very high90 Ų90105.6 Ų105.648%0.48152%0.518SS..Hα-helixtrans-65.4-40.4178.3-75.8-17.6000111.4F453 M461F453-D457 WeakPolarHBondContact O-CB 3.38Å; F453-D457 PolarHBondContact O-N 3.23Å; D457-M461 WeakPolarHBondContact O-CB 3.46Å; D457-M461 PolarHBondContact O-N 3.46Å
458L93.7Very high91.5Very high114 Ų114103.8 Ų103.860%0.59750%0.503SS*.Hα-helixtrans-69.3-41.8178.4-171.9142.1000111.7V454 Q455 M461 Q462V454-L458 WeakPolarHBondContact O-CB 3.02Å; V454-L458 PolarHBondContact O-N 3Å; Q455-L458 PolarHBondContact O-N 2.87Å; L458-M461 PolarHBondContact O-N 3.37Å; L458-Q462 WeakPolarHBondContact O-CB 3.41Å; L458-Q462 PolarHBondContact O-N 2.86Å
459E92.8Very high91.9Very high96 Ų96106 Ų10645%0.44950%0.504SS..Hα-helixtrans-64-44.2174.6-72.9176.4-161.600111.4Q455 E456 Q462 Q463Q455-E459 PolarHBondContact NE2-OE1 3.3Å; Q455-E459 WeakPolarHBondContact O-CG 3.35Å; Q455-E459 PolarHBondContact O-N 3.08Å; E456-E459 PolarHBondContact O-N 3.19Å; E459-Q462 PolarHBondContact O-N 3.14Å; E459-Q463 WeakPolarHBondContact O-CG 3.36Å; E459-Q463 PolarHBondContact O-N 3.42Å
460T93.8Very high92.2Very high68 Ų68102.7 Ų102.742%0.41750%0.497SS..Hα-helixtrans-63.4-45.1177.2-56.70000111.1E456 Q462 Q463 E464E456-T460 VanDerWaalsContact O-CB 3.27Å; E456-T460 WeakPolarHBondContact O-CB 3.39Å; E456-T460 PolarHBondContact O-N 3.03Å; E456-T460 PolarHBondContact O-OG1 3.21Å; T460-Q462 VanDerWaalsContact C-N 3.33Å; T460-Q462 PolarHBondContact O-N 3.47Å; T460-Q463 PolarHBondContact O-N 2.72Å; T460-E464 WeakPolarHBondContact O-CG 3.2Å; T460-E464 PolarHBondContact O-N 2.78Å
461M92.7Very high92.4Very high135 Ų135100.4 Ų100.467%0.66548%0.484SS*.Hα-helixtrans-62.6-39.3177.1-172-176.3-5500111.9D457 L458 E464 F465D457-M461 WeakPolarHBondContact O-CB 3.46Å; D457-M461 PolarHBondContact O-N 3.46Å; L458-M461 PolarHBondContact O-N 3.37Å; M461-E464 PolarHBondContact O-N 2.98Å; M461-F465 WeakPolarHBondContact O-CB 3.38Å; M461-F465 PolarHBondContact O-N 3.36Å
462Q94.5Very high92.6Very high98 Ų9898 Ų9846%0.45847%0.474SS..Hα-helixtrans-66.2-42.3177.4-172.363.230.500111.9L458 E459 T460 F465 E466L458-Q462 WeakPolarHBondContact O-CB 3.41Å; L458-Q462 PolarHBondContact O-N 2.86Å; E459-Q462 PolarHBondContact O-N 3.14Å; T460-Q462 VanDerWaalsContact C-N 3.33Å; T460-Q462 PolarHBondContact O-N 3.47Å; Q462-F465 PolarHBondContact O-N 2.92Å; Q462-E466 PolarHBondContact NE2-OE1 3.4Å; Q462-E466 PolarHBondContact O-N 2.78Å
463Q94.8Very high93Very high137 Ų13799.2 Ų99.264%0.6448%0.475SS*.Hα-helixtrans-63.3-42.9175.5-70.617523.400111.6E459 T460 F465 R467E459-Q463 WeakPolarHBondContact O-CG 3.36Å; E459-Q463 PolarHBondContact O-N 3.42Å; T460-Q463 PolarHBondContact O-N 2.72Å; Q463-F465 VanDerWaalsContact C-N 3.33Å; Q463-R467 WeakPolarHBondContact O-CB 3.49Å; Q463-R467 PolarHBondContact O-N 3.34Å
464E92.9Very high93.3Very high62 Ų6298.3 Ų98.329%0.2948%0.475SS..Hα-helixtrans-60.9-44173.7-73.3-165-178.600111.1T460 M461 R467 W468T460-E464 WeakPolarHBondContact O-CG 3.2Å; T460-E464 PolarHBondContact O-N 2.78Å; M461-E464 PolarHBondContact O-N 2.98Å; E464-R467 WeakPolarHBondContact O-CB 3.27Å; E464-R467 PolarHBondContact O-N 2.9Å; E464-W468 PolarHBondContact O-N 3.46Å
465F93Very high93.4Very high113 Ų11399.7 Ų99.750%0.49648%0.48SS..Hα-helixtrans-59-49.8178.3175.6-99.3000112.4M461 Q462 Q463 R467 W468 K469M461-F465 WeakPolarHBondContact O-CB 3.38Å; M461-F465 PolarHBondContact O-N 3.36Å; Q462-F465 PolarHBondContact O-N 2.92Å; Q463-F465 VanDerWaalsContact C-N 3.33Å; F465-R467 VanDerWaalsContact C-N 3.31Å; F465-R467 PolarHBondContact O-N 3.43Å; F465-W468 PolarHBondContact O-N 3.12Å; F465-K469 HydrophobicContact CE1-CD 4.16Å; F465-K469 HydrophobicContact CZ-CD 4.46Å; F465-K469 WeakPolarHBondContact O-CB 3.32Å; F465-K469 PolarHBondContact O-N 3.19Å
466E94.9Very high93.8Very high87 Ų8799.9 Ų99.941%0.40748%0.478SS..Hα-helixtrans-64.5-36.4178.3-69.2-58.5155.200112.1Q462 K469 S470Q462-E466 PolarHBondContact NE2-OE1 3.4Å; Q462-E466 PolarHBondContact O-N 2.78Å; E466-K469 PolarHBondContact O-N 2.87Å; E466-S470 PolarHBondContact O-N 3.08Å; E466-S470 PolarHBondContact O-OG 2.82Å
467R95.3Very high93.9Very high131 Ų13196.9 Ų96.949%0.49447%0.471SS..Hα-helixtrans-61.4-49171.8-179.3-177.3173.2170.43.5111.6Q463 E464 F465 K469 S470 E471Q463-R467 WeakPolarHBondContact O-CB 3.49Å; Q463-R467 PolarHBondContact O-N 3.34Å; E464-R467 WeakPolarHBondContact O-CB 3.27Å; E464-R467 PolarHBondContact O-N 2.9Å; F465-R467 VanDerWaalsContact C-N 3.31Å; F465-R467 PolarHBondContact O-N 3.43Å; R467-K469 VanDerWaalsContact C-N 3.29Å; R467-K469 PolarHBondContact O-N 2.82Å; R467-S470 PolarHBondContact O-N 3.17Å; R467-S470 PolarHBondContact O-OG 3.32Å; R467-E471 WeakPolarHBondContact O-CB 3.33Å; R467-E471 PolarHBondContact O-N 2.91Å
468W91.6Very high94Very high77 Ų7795.9 Ų95.929%0.29246%0.463SS..Hα-helixtrans-64.4-36.1178.5-71.7117.3000112.2R269 E464 F465 N472R269-W468 HydrophobicContact CB-CH2 4.1Å; R269-W468 HydrophobicContact CB-CZ2 4.46Å; R269-W468 VanDerWaalsContact CD-CZ2 3.42Å; R269-W468 HydrophobicContact CG-CH2 3.72Å; R269-W468 HydrophobicContact CG-CZ2 3.59Å; R269-W468 VanDerWaalsContact CZ-CE2 3.47Å; R269-W468 VanDerWaalsContact NH2-NE1 3.15Å; E464-W468 PolarHBondContact O-N 3.46Å; F465-W468 PolarHBondContact O-N 3.12Å; W468-N472 WeakPolarHBondContact O-CB 3.43Å; W468-N472 PolarHBondContact O-N 3.5Å
469K95.6Very high93.8Very high120 Ų12095.3 Ų95.352%0.52246%0.46SS..Hα-helixtrans-65.3-46.6177.4-173179.6176.7-173.40111.8F465 E466 R467 H473F465-K469 HydrophobicContact CE1-CD 4.16Å; F465-K469 HydrophobicContact CZ-CD 4.46Å; F465-K469 WeakPolarHBondContact O-CB 3.32Å; F465-K469 PolarHBondContact O-N 3.19Å; E466-K469 PolarHBondContact O-N 2.87Å; R467-K469 VanDerWaalsContact C-N 3.29Å; R467-K469 PolarHBondContact O-N 2.82Å; K469-H473 PolarHBondContact O-N 2.8Å
470S95.1Very high93.9Very high63 Ų6397.1 Ų97.144%0.44147%0.467SS..Hα-helixtrans-65.9-43.7176.2550000112.2E466 R467 N472 H473 I474E466-S470 PolarHBondContact O-N 3.08Å; E466-S470 PolarHBondContact O-OG 2.82Å; R467-S470 PolarHBondContact O-N 3.17Å; R467-S470 PolarHBondContact O-OG 3.32Å; S470-N472 PolarHBondContact O-N 2.85Å; S470-H473 WeakPolarHBondContact O-CB 3.24Å; S470-H473 PolarHBondContact O-N 3.34Å; S470-I474 WeakPolarHBondContact O-CG1 3.25Å; S470-I474 PolarHBondContact O-N 3.33Å
471E93.5Very high94Very high47 Ų4799.1 Ų99.122%0.2247%0.471CS..Hα-helixtrans-62.1-42.4176.3-171.9170.6173.700111.8R467 H473 I474 L475R467-E471 WeakPolarHBondContact O-CB 3.33Å; R467-E471 PolarHBondContact O-N 2.91Å; E471-H473 VanDerWaalsContact C-N 3.34Å; E471-H473 PolarHBondContact O-N 3.03Å; E471-I474 PolarHBondContact O-N 3.27Å; E471-L475 HydrophobicContact CG-CD1 4.07Å; E471-L475 HydrophobicContact CG-CG 4.46Å; E471-L475 WeakPolarHBondContact O-CB 3.39Å; E471-L475 VanDerWaalsContact O-CG 3.3Å; E471-L475 WeakPolarHBondContact O-CG 3.4Å; E471-L475 PolarHBondContact O-N 2.94Å
472N92.8Very high93.8Very high81 Ų8198.1 Ų98.143%0.43347%0.465SS..Hα-helixtrans-62.7-40.8175.2-169.2-50.4000111.6W468 S470 L475 K476W468-N472 WeakPolarHBondContact O-CB 3.43Å; W468-N472 PolarHBondContact O-N 3.5Å; S470-N472 PolarHBondContact O-N 2.85Å; N472-L475 PolarHBondContact O-N 3.47Å; N472-K476 WeakPolarHBondContact O-CB 3.31Å; N472-K476 WeakPolarHBondContact O-CG 3.5Å; N472-K476 PolarHBondContact O-N 3.44Å; N472-K476 VanDerWaalsContact OD1-CD 3.24Å; N472-K476 WeakPolarHBondContact OD1-CD 3.06Å; N472-K476 WeakPolarHBondContact OD1-CE 3.38Å; N472-K476 PolarHBondContact OD1-NZ 2.98Å; N472-K476 VanDerWaalsContact OD1-NZ 3.14Å
473H94.7Very high93.7Very high137 Ų13798.7 Ų98.763%0.63447%0.468SS*.Hα-helixtrans-62.2-44.4175.6-171.960.6000112.1K469 S470 E471 K476 S477K469-H473 PolarHBondContact O-N 2.8Å; S470-H473 WeakPolarHBondContact O-CB 3.24Å; S470-H473 PolarHBondContact O-N 3.34Å; E471-H473 VanDerWaalsContact C-N 3.34Å; E471-H473 PolarHBondContact O-N 3.03Å; H473-K476 PolarHBondContact O-N 3.49Å; H473-S477 PolarHBondContact O-N 2.88Å
474I95.1Very high93.7Very high92 Ų9296.6 Ų96.647%0.47246%0.461SS..Hα-helixtrans-62.4-49.5176.3-67.1164.9000110.7S470 E471 K476 S477 Q478S470-I474 WeakPolarHBondContact O-CG1 3.25Å; S470-I474 PolarHBondContact O-N 3.33Å; E471-I474 PolarHBondContact O-N 3.27Å; I474-K476 VanDerWaalsContact C-N 3.33Å; I474-K476 PolarHBondContact O-N 2.85Å; I474-S477 WeakPolarHBondContact O-CB 3.38Å; I474-S477 PolarHBondContact O-N 3.16Å; I474-S477 VanDerWaalsContact O-N 3.15Å; I474-Q478 HydrophobicContact CG2-CG 4.33Å; I474-Q478 WeakPolarHBondContact O-CG 3.19Å; I474-Q478 PolarHBondContact O-N 3.26Å
475L93.7Very high93.8Very high91 Ų9198.3 Ų98.348%0.47647%0.472SS..Hα-helixtrans-62.6-38.3-179.6-72172.8000112.1E471 N472 Q478 L479E471-L475 HydrophobicContact CG-CD1 4.07Å; E471-L475 HydrophobicContact CG-CG 4.46Å; E471-L475 WeakPolarHBondContact O-CB 3.39Å; E471-L475 VanDerWaalsContact O-CG 3.3Å; E471-L475 WeakPolarHBondContact O-CG 3.4Å; E471-L475 PolarHBondContact O-N 2.94Å; N472-L475 PolarHBondContact O-N 3.47Å; L475-Q478 PolarHBondContact O-N 3.31Å; L475-L479 VanDerWaalsContact O-CB 3.26Å; L475-L479 WeakPolarHBondContact O-CB 3.41Å; L475-L479 PolarHBondContact O-N 3.31Å
476K95.3Very high93.7Very high137 Ų13796.5 Ų96.560%0.59647%0.47SS*.Hα-helixtrans-62.6-43173-80.3175.1173.8163.80112.1N472 H473 I474 L479 K480N472-K476 WeakPolarHBondContact O-CB 3.31Å; N472-K476 WeakPolarHBondContact O-CG 3.5Å; N472-K476 PolarHBondContact O-N 3.44Å; N472-K476 VanDerWaalsContact OD1-CD 3.24Å; N472-K476 WeakPolarHBondContact OD1-CD 3.06Å; N472-K476 WeakPolarHBondContact OD1-CE 3.38Å; N472-K476 PolarHBondContact OD1-NZ 2.98Å; N472-K476 VanDerWaalsContact OD1-NZ 3.14Å; H473-K476 PolarHBondContact O-N 3.49Å; I474-K476 VanDerWaalsContact C-N 3.33Å; I474-K476 PolarHBondContact O-N 2.85Å; K476-L479 PolarHBondContact O-N 3.42Å; K476-K480 PolarHBondContact O-N 3.27Å
477S93.2Very high93.6Very high59 Ų5996.5 Ų96.541%0.41347%0.47SS..Hα-helixtrans-64.8-42.9176.2-1730000111.7H473 I474 K480 Q481H473-S477 PolarHBondContact O-N 2.88Å; I474-S477 WeakPolarHBondContact O-CB 3.38Å; I474-S477 PolarHBondContact O-N 3.16Å; I474-S477 VanDerWaalsContact O-N 3.15Å; S477-K480 PolarHBondContact O-N 3.3Å; S477-Q481 WeakPolarHBondContact O-CG 3.29Å; S477-Q481 PolarHBondContact O-N 3.4Å
478Q95.3Very high93.5Very high69 Ų6994.6 Ų94.632%0.32247%0.473SS..Hα-helixtrans-64.9-42.1176.8-73.4176.1-11.100111.7I474 L475 K480 Q481 Q482I474-Q478 HydrophobicContact CG2-CG 4.33Å; I474-Q478 WeakPolarHBondContact O-CG 3.19Å; I474-Q478 PolarHBondContact O-N 3.26Å; L475-Q478 PolarHBondContact O-N 3.31Å; Q478-K480 PolarHBondContact O-N 2.86Å; Q478-Q481 WeakPolarHBondContact O-CB 3.38Å; Q478-Q481 PolarHBondContact O-N 3.46Å; Q478-Q482 VanDerWaalsContact O-CG 3.32Å; Q478-Q482 WeakPolarHBondContact O-CG 3.33Å; Q478-Q482 PolarHBondContact O-N 3.33Å
479L90.5Very high93.6Very high102 Ų10294.8 Ų94.853%0.53449%0.485SS..Hα-helixtrans-59.7-47176.5-177.1136.6000110.9L475 K476 Q481 Q482 E483L475-L479 VanDerWaalsContact O-CB 3.26Å; L475-L479 WeakPolarHBondContact O-CB 3.41Å; L475-L479 PolarHBondContact O-N 3.31Å; K476-L479 PolarHBondContact O-N 3.42Å; L479-Q481 VanDerWaalsContact C-N 3.33Å; L479-Q481 PolarHBondContact O-N 3.06Å; L479-Q482 PolarHBondContact O-N 3.21Å; L479-E483 HydrophobicContact CD2-CG 4.38Å; L479-E483 VanDerWaalsContact CD2-OE1 3.27Å; L479-E483 WeakPolarHBondContact CD2-OE1 3.35Å; L479-E483 WeakPolarHBondContact O-CG 3.47Å; L479-E483 PolarHBondContact O-N 3.01Å
480K94.8Very high93.4Very high133 Ų13392.1 Ų92.158%0.57848%0.476SS*.Hα-helixtrans-61.3-39175.2-170.9175.4-177.3178.40112.7K476 S477 Q478 N484K476-K480 PolarHBondContact O-N 3.27Å; S477-K480 PolarHBondContact O-N 3.3Å; Q478-K480 PolarHBondContact O-N 2.86Å; K480-N484 VanDerWaalsContact O-CG 3.25Å; K480-N484 PolarHBondContact O-N 3.39Å
481Q94.2Very high93.3Very high110 Ų11094.1 Ų94.151%0.51448%0.478SS..Hα-helixtrans-63.8-44.4174.4-74.8173.2-5.400111.7S477 Q478 L479 N484 L485S477-Q481 WeakPolarHBondContact O-CG 3.29Å; S477-Q481 PolarHBondContact O-N 3.4Å; Q478-Q481 WeakPolarHBondContact O-CB 3.38Å; Q478-Q481 PolarHBondContact O-N 3.46Å; L479-Q481 VanDerWaalsContact C-N 3.33Å; L479-Q481 PolarHBondContact O-N 3.06Å; Q481-N484 PolarHBondContact O-N 3.38Å; Q481-L485 WeakPolarHBondContact O-CG 3.15Å; Q481-L485 PolarHBondContact O-N 2.95Å
482Q89.7Confident93.3Very high115 Ų11595.6 Ų95.654%0.53749%0.492SS..Hα-helixtrans-65.9-38.6177.9-69-61-40.600112.3Q478 L479 L485 T486Q478-Q482 VanDerWaalsContact O-CG 3.32Å; Q478-Q482 WeakPolarHBondContact O-CG 3.33Å; Q478-Q482 PolarHBondContact O-N 3.33Å; L479-Q482 PolarHBondContact O-N 3.21Å; Q482-L485 PolarHBondContact O-N 3.19Å; Q482-T486 VanDerWaalsContact O-CB 3.31Å; Q482-T486 WeakPolarHBondContact O-CB 3.31Å; Q482-T486 PolarHBondContact O-N 3.03Å; Q482-T486 PolarHBondContact O-OG1 3.34Å
483E92.8Very high93.3Very high110 Ų11096.8 Ų96.851%0.51450%0.498SS..Hα-helixtrans-60.6-47.4173-74.6174.2162.600111.2L479 L485 T486 Q487L479-E483 HydrophobicContact CD2-CG 4.38Å; L479-E483 VanDerWaalsContact CD2-OE1 3.27Å; L479-E483 WeakPolarHBondContact CD2-OE1 3.35Å; L479-E483 WeakPolarHBondContact O-CG 3.47Å; L479-E483 PolarHBondContact O-N 3.01Å; E483-L485 PolarHBondContact O-N 2.91Å; E483-T486 PolarHBondContact O-N 3.34Å; E483-Q487 VanDerWaalsContact O-CB 3.28Å; E483-Q487 WeakPolarHBondContact O-CB 3.37Å; E483-Q487 PolarHBondContact O-N 2.97Å
484N94.5Very high93.3Very high93 Ų9396 Ų9650%0.49749%0.492SS..Hα-helixtrans-62.3-42.8177.5-72.3-9.9000112.4K480 Q481 Q487 T488K480-N484 VanDerWaalsContact O-CG 3.25Å; K480-N484 PolarHBondContact O-N 3.39Å; Q481-N484 PolarHBondContact O-N 3.38Å; N484-Q487 PolarHBondContact O-N 3.01Å; N484-T488 WeakPolarHBondContact O-CB 3.34Å; N484-T488 PolarHBondContact O-N 2.89Å; N484-T488 PolarHBondContact O-OG1 2.72Å
485L93.5Very high93.3Very high98 Ų9894.2 Ų94.251%0.51349%0.491SS..Hα-helixtrans-62.7-47.1176.1-72.2172.4000111.1Q481 Q482 E483 Q487 T488 C489Q481-L485 WeakPolarHBondContact O-CG 3.15Å; Q481-L485 PolarHBondContact O-N 2.95Å; Q482-L485 PolarHBondContact O-N 3.19Å; E483-L485 PolarHBondContact O-N 2.91Å; L485-Q487 VanDerWaalsContact C-N 3.32Å; L485-Q487 PolarHBondContact O-N 3.48Å; L485-T488 PolarHBondContact O-N 2.87Å; L485-C489 PolarHBondContact O-N 3.4Å; L485-C489 PolarHBondContact O-SG 3.42Å
486T91.1Very high93.4Very high75 Ų7594.9 Ų94.946%0.4649%0.492SS..Hα-helixtrans-61-43.1178.5-56.60000111.1Q482 E483 C489 I490Q482-T486 VanDerWaalsContact O-CB 3.31Å; Q482-T486 WeakPolarHBondContact O-CB 3.31Å; Q482-T486 PolarHBondContact O-N 3.03Å; Q482-T486 PolarHBondContact O-OG1 3.34Å; E483-T486 PolarHBondContact O-N 3.34Å; T486-C489 PolarHBondContact O-N 2.9Å; T486-I490 HydrophobicContact CG2-CD1 3.66Å; T486-I490 HydrophobicContact CG2-CG1 4.38Å; T486-I490 WeakPolarHBondContact O-CB 3.46Å; T486-I490 VanDerWaalsContact O-CG1 3.24Å; T486-I490 WeakPolarHBondContact O-CG1 3.18Å; T486-I490 PolarHBondContact O-N 3.23Å
487Q94.1Very high93.4Very high87 Ų8793.4 Ų93.441%0.40749%0.49SS..Hα-helixtrans-61.6-45.1176.8-178.86026.200111.4E483 N484 L485 C489 I490 E491E483-Q487 VanDerWaalsContact O-CB 3.28Å; E483-Q487 WeakPolarHBondContact O-CB 3.37Å; E483-Q487 PolarHBondContact O-N 2.97Å; N484-Q487 PolarHBondContact O-N 3.01Å; L485-Q487 VanDerWaalsContact C-N 3.32Å; L485-Q487 PolarHBondContact O-N 3.48Å; Q487-C489 VanDerWaalsContact C-N 3.32Å; Q487-C489 PolarHBondContact O-N 3.02Å; Q487-I490 PolarHBondContact O-N 3.42Å; Q487-E491 PolarHBondContact NE2-OE1 2.92Å; Q487-E491 WeakPolarHBondContact O-CG 3.16Å; Q487-E491 PolarHBondContact O-N 3.19Å; Q487-E491 VanDerWaalsContact O-N 3.11Å
488T92.4Very high93.5Very high90 Ų9096.1 Ų96.155%0.55250%0.496SS*.Hα-helixtrans-62.4-37.7177.3-52.20000111.9N484 L485 P492N484-T488 WeakPolarHBondContact O-CB 3.34Å; N484-T488 PolarHBondContact O-N 2.89Å; N484-T488 PolarHBondContact O-OG1 2.72Å; L485-T488 PolarHBondContact O-N 2.87Å; T488-P492 WeakPolarHBondContact O-CD 3.36Å
489C92.7Very high93.6Very high82 Ų8299.4 Ų99.455%0.55451%0.512SS*.Hα-helixtrans-74.8-29.3177.6-65.70000113.5L485 T486 Q487 P492L485-C489 PolarHBondContact O-N 3.4Å; L485-C489 PolarHBondContact O-SG 3.42Å; T486-C489 PolarHBondContact O-N 2.9Å; Q487-C489 VanDerWaalsContact C-N 3.32Å; Q487-C489 PolarHBondContact O-N 3.02Å; C489-P492 WeakPolarHBondContact O-CD 3.34Å; C489-P492 WeakPolarHBondContact O-CG 3.49Å
490I93.2Very high93.8Very high63 Ų6399.4 Ų99.432%0.32351%0.512SS..Hα-helixtrans-79-31.6-179.9-72171.7000111.8T486 Q487 L493 K494T486-I490 HydrophobicContact CG2-CD1 3.66Å; T486-I490 HydrophobicContact CG2-CG1 4.38Å; T486-I490 WeakPolarHBondContact O-CB 3.46Å; T486-I490 VanDerWaalsContact O-CG1 3.24Å; T486-I490 WeakPolarHBondContact O-CG1 3.18Å; T486-I490 PolarHBondContact O-N 3.23Å; Q487-I490 PolarHBondContact O-N 3.42Å; I490-L493 PolarHBondContact O-N 2.96Å; I490-K494 HydrophobicContact CG2-CD 3.78Å; I490-K494 VanDerWaalsContact CG2-CE 3.42Å; I490-K494 HydrophobicContact CG2-CG 3.91Å; I490-K494 WeakPolarHBondContact O-CG 3.26Å; I490-K494 PolarHBondContact O-N 3.48Å
491E91.7Very high93.9Very high106 Ų10698 Ų9850%0.49551%0.507SS..Hα-helixtrans-53.4-49.2179.2-80.3171.4-16700115.1Q487 L493 K494 A495Q487-E491 PolarHBondContact NE2-OE1 2.92Å; Q487-E491 WeakPolarHBondContact O-CG 3.16Å; Q487-E491 PolarHBondContact O-N 3.19Å; Q487-E491 VanDerWaalsContact O-N 3.11Å; E491-L493 PolarHBondContact O-N 2.95Å; E491-K494 PolarHBondContact O-N 2.81Å; E491-A495 PolarHBondContact O-N 2.8Å
492P94.6Very high94Very high77 Ų7797.6 Ų97.650%0.551%0.505SS..Hα-helixtrans-66.4-36.617725.7-34.9000112.5T488 C489 K494 A495 E496T488-P492 WeakPolarHBondContact O-CD 3.36Å; C489-P492 WeakPolarHBondContact O-CD 3.34Å; C489-P492 WeakPolarHBondContact O-CG 3.49Å; P492-K494 VanDerWaalsContact C-N 3.31Å; P492-K494 PolarHBondContact O-N 3.32Å; P492-A495 PolarHBondContact O-N 3.38Å; P492-E496 WeakPolarHBondContact O-CB 3.4Å; P492-E496 PolarHBondContact O-N 3.36Å
493L92.1Very high94.4Very high107 Ų10798.1 Ų98.156%0.5650%0.503SS*.Hα-helixtrans-65.2-36.4176.5-68.1173.3000111.8I490 E491 L497I490-L493 PolarHBondContact O-N 2.96Å; E491-L493 PolarHBondContact O-N 2.95Å; L493-L497 WeakPolarHBondContact O-CB 3.43Å; L493-L497 PolarHBondContact O-N 3.35Å
494K95.5Very high94.5Very high119 Ų11995.7 Ų95.752%0.51750%0.502SS..Hα-helixtrans-66.4-41.9172.5-76.7177.9174.9170.80111.5I490 E491 P492 L497 E498I490-K494 HydrophobicContact CG2-CD 3.78Å; I490-K494 VanDerWaalsContact CG2-CE 3.42Å; I490-K494 HydrophobicContact CG2-CG 3.91Å; I490-K494 WeakPolarHBondContact O-CG 3.26Å; I490-K494 PolarHBondContact O-N 3.48Å; E491-K494 PolarHBondContact O-N 2.81Å; P492-K494 VanDerWaalsContact C-N 3.31Å; P492-K494 PolarHBondContact O-N 3.32Å; K494-L497 WeakPolarHBondContact O-CB 3.41Å; K494-L497 PolarHBondContact O-N 3.37Å; K494-E498 PolarHBondContact O-N 3.03Å
495A94.9Very high94.7Very high55 Ų5597 Ų9746%0.45550%0.503SS..Hα-helixtrans-64.1-42.3176.500000111.9E491 P492 E498 E499E491-A495 PolarHBondContact O-N 2.8Å; P492-A495 PolarHBondContact O-N 3.38Å; A495-E498 PolarHBondContact O-N 3.44Å; A495-E499 PolarHBondContact O-N 3.35Å
496E95.7Very high94.9Very high106 Ų10698.2 Ų98.250%0.49551%0.506SS..Hα-helixtrans-63.9-40174.6-174-179.618000111.7P492 E498 E499 L500P492-E496 WeakPolarHBondContact O-CB 3.4Å; P492-E496 PolarHBondContact O-N 3.36Å; E496-E498 VanDerWaalsContact C-N 3.34Å; E496-E498 PolarHBondContact O-N 3.45Å; E496-E499 PolarHBondContact O-N 2.9Å; E496-L500 HydrophobicContact CG-CD1 4.37Å; E496-L500 WeakPolarHBondContact O-CB 3.31Å; E496-L500 WeakPolarHBondContact O-CG 3.49Å; E496-L500 PolarHBondContact O-N 3.26Å
497L93.9Very high95.1Very high106 Ų10699.6 Ų99.656%0.55551%0.506SS*.Hα-helixtrans-60.4-44.4173.1-113.1168.2000111.7L493 K494 L500 E501L493-L497 WeakPolarHBondContact O-CB 3.43Å; L493-L497 PolarHBondContact O-N 3.35Å; K494-L497 WeakPolarHBondContact O-CB 3.41Å; K494-L497 PolarHBondContact O-N 3.37Å; L497-L500 PolarHBondContact O-N 3.48Å; L497-E501 WeakPolarHBondContact O-CB 3.48Å; L497-E501 WeakPolarHBondContact O-CG 3.48Å; L497-E501 PolarHBondContact O-N 3.34Å
498E96.1Very high95.2Very high116 Ų116100.8 Ų100.854%0.54251%0.511SS..Hα-helixtrans-64.4-41.6177.7-172.6173.5-177.500111.6K494 A495 E496 E501 Q502K494-E498 PolarHBondContact O-N 3.03Å; A495-E498 PolarHBondContact O-N 3.44Å; E496-E498 VanDerWaalsContact C-N 3.34Å; E496-E498 PolarHBondContact O-N 3.45Å; E498-E501 PolarHBondContact O-N 3.1Å; E498-Q502 VanDerWaalsContact O-CG 3.29Å; E498-Q502 WeakPolarHBondContact O-CG 3.45Å; E498-Q502 PolarHBondContact O-N 3.09Å
499E96.6Very high95.5Very high138 Ų138103.8 Ų103.865%0.64552%0.517SS*.Hα-helixtrans-61.4-46.6174.8-173.3-179.817400111.6A495 E496 E501 Q502 Y503A495-E499 PolarHBondContact O-N 3.35Å; E496-E499 PolarHBondContact O-N 2.9Å; E499-E501 PolarHBondContact O-N 3.35Å; E499-Q502 PolarHBondContact O-N 3.48Å; E499-Y503 WeakPolarHBondContact O-CB 3.1Å; E499-Y503 PolarHBondContact O-N 2.97Å
500L95.7Very high95.7Very high101 Ų101102.6 Ų102.653%0.52951%0.512SS..Hα-helixtrans-64.5-38.2177.3-73.1174.6000112.4E496 L497 Y503 A504E496-L500 HydrophobicContact CG-CD1 4.37Å; E496-L500 WeakPolarHBondContact O-CB 3.31Å; E496-L500 WeakPolarHBondContact O-CG 3.49Å; E496-L500 PolarHBondContact O-N 3.26Å; L497-L500 PolarHBondContact O-N 3.48Å; L500-Y503 PolarHBondContact O-N 3.41Å; L500-A504 WeakPolarHBondContact O-CB 3.34Å; L500-A504 PolarHBondContact O-N 3.01Å
501E97.2Very high95.9Very high105 Ų105103.1 Ų103.149%0.49152%0.515SS..Hα-helixtrans-63.9-41.9173.4-81.7-166.9-173.600112.1L497 E498 E499 A504 K505L497-E501 WeakPolarHBondContact O-CB 3.48Å; L497-E501 WeakPolarHBondContact O-CG 3.48Å; L497-E501 PolarHBondContact O-N 3.34Å; E498-E501 PolarHBondContact O-N 3.1Å; E499-E501 PolarHBondContact O-N 3.35Å; E501-A504 PolarHBondContact O-N 2.92Å; E501-K505 WeakPolarHBondContact O-CB 3.35Å; E501-K505 VanDerWaalsContact O-CG 3.29Å; E501-K505 WeakPolarHBondContact O-CG 3.41Å; E501-K505 PolarHBondContact O-N 3.17Å; E501-K505 IonicContact OE2-NZ 3.73Å
502Q96.4Very high96.1Very high100 Ų100102.2 Ų102.247%0.46752%0.517SS..Hα-helixtrans-63-46.5174.8-71.5178.420.200110.7E498 E499 A504 K505 E506E498-Q502 VanDerWaalsContact O-CG 3.29Å; E498-Q502 WeakPolarHBondContact O-CG 3.45Å; E498-Q502 PolarHBondContact O-N 3.09Å; E499-Q502 PolarHBondContact O-N 3.48Å; Q502-A504 PolarHBondContact O-N 3.37Å; Q502-K505 WeakPolarHBondContact O-CB 3.27Å; Q502-K505 PolarHBondContact O-N 2.85Å; Q502-E506 WeakPolarHBondContact O-CG 3.44Å; Q502-E506 PolarHBondContact O-N 3.45Å
503Y97.5Very high96.2Very high127 Ų127105.4 Ų105.450%0.49852%0.523SS..Hα-helixtrans-59.5-43.1176.1-177.9-105.7000112.4E499 L500 E506 K507E499-Y503 WeakPolarHBondContact O-CB 3.1Å; E499-Y503 PolarHBondContact O-N 2.97Å; L500-Y503 PolarHBondContact O-N 3.41Å; Y503-E506 PolarHBondContact O-N 2.92Å; Y503-K507 HydrophobicContact CD1-CG 4.44Å; Y503-K507 HydrophobicContact CE1-CG 4.14Å; Y503-K507 VanDerWaalsContact CE2-CE 3.48Å; Y503-K507 WeakPolarHBondContact O-CG 3.46Å; Y503-K507 PolarHBondContact O-N 3.3Å; Y503-K507 WeakPolarHBondContact OH-CE 3.4Å; Y503-K507 PolarHBondContact OH-NZ 2.75Å
504A96.1Very high96.4Very high58 Ų58103.6 Ų103.648%0.47952%0.518SS..Hα-helixtrans-62.6-43.1175.500000111.9L500 E501 Q502 E506 K507 Q508L500-A504 WeakPolarHBondContact O-CB 3.34Å; L500-A504 PolarHBondContact O-N 3.01Å; E501-A504 PolarHBondContact O-N 2.92Å; Q502-A504 PolarHBondContact O-N 3.37Å; A504-E506 VanDerWaalsContact C-N 3.34Å; A504-E506 PolarHBondContact O-N 2.88Å; A504-K507 PolarHBondContact O-N 2.88Å; A504-Q508 WeakPolarHBondContact O-CB 3.45Å; A504-Q508 PolarHBondContact O-N 3.4Å
505K97.3Very high96.5Very high120 Ų120104.3 Ų104.352%0.52252%0.521SS..Hα-helixtrans-61.1-41.1174.9-74.7166.8-174159.90111.5E501 Q502 Q508 K509E501-K505 WeakPolarHBondContact O-CB 3.35Å; E501-K505 VanDerWaalsContact O-CG 3.29Å; E501-K505 WeakPolarHBondContact O-CG 3.41Å; E501-K505 PolarHBondContact O-N 3.17Å; E501-K505 IonicContact OE2-NZ 3.73Å; Q502-K505 WeakPolarHBondContact O-CB 3.27Å; Q502-K505 PolarHBondContact O-N 2.85Å; K505-Q508 PolarHBondContact O-N 3.31Å; K505-K509 WeakPolarHBondContact O-CG 3.38Å; K505-K509 PolarHBondContact O-N 3.46Å
506E97.3Very high96.6Very high125 Ų125104.6 Ų104.658%0.58452%0.524SS*.Hα-helixtrans-64.7-45.1176.1-72.6-175.3171.100112.7Q502 Y503 A504 Q508 K509 A510Q502-E506 WeakPolarHBondContact O-CG 3.44Å; Q502-E506 PolarHBondContact O-N 3.45Å; Y503-E506 PolarHBondContact O-N 2.92Å; A504-E506 VanDerWaalsContact C-N 3.34Å; A504-E506 PolarHBondContact O-N 2.88Å; E506-Q508 VanDerWaalsContact C-N 3.31Å; E506-Q508 PolarHBondContact O-N 3.45Å; E506-K509 WeakPolarHBondContact O-CB 3.24Å; E506-K509 PolarHBondContact O-N 3.09Å; E506-A510 PolarHBondContact O-N 2.9Å
507K95.8Very high96.7Very high104 Ų104106.3 Ų106.345%0.45253%0.53SS..Hα-helixtrans-61.8-40.6174.6-68.3-59.8-177.4-176.10111.7Y503 A504 K509 A510 I511Y503-K507 HydrophobicContact CD1-CG 4.44Å; Y503-K507 HydrophobicContact CE1-CG 4.14Å; Y503-K507 VanDerWaalsContact CE2-CE 3.48Å; Y503-K507 WeakPolarHBondContact O-CG 3.46Å; Y503-K507 PolarHBondContact O-N 3.3Å; Y503-K507 WeakPolarHBondContact OH-CE 3.4Å; Y503-K507 PolarHBondContact OH-NZ 2.75Å; A504-K507 PolarHBondContact O-N 2.88Å; K507-K509 PolarHBondContact O-N 3.31Å; K507-A510 WeakPolarHBondContact O-CB 3.45Å; K507-A510 PolarHBondContact O-N 2.87Å; K507-I511 VanDerWaalsContact O-CG1 3.28Å; K507-I511 WeakPolarHBondContact O-CG1 3.43Å; K507-I511 PolarHBondContact O-N 3.28Å
508Q97.2Very high96.8Very high111 Ų111105.6 Ų105.652%0.51953%0.525SS..Hα-helixtrans-62.1-43.9175.7-171.265.11.800111.6A504 K505 E506 A510 I511 V512A504-Q508 WeakPolarHBondContact O-CB 3.45Å; A504-Q508 PolarHBondContact O-N 3.4Å; K505-Q508 PolarHBondContact O-N 3.31Å; E506-Q508 VanDerWaalsContact C-N 3.31Å; E506-Q508 PolarHBondContact O-N 3.45Å; Q508-A510 VanDerWaalsContact C-N 3.33Å; Q508-A510 PolarHBondContact O-N 3.26Å; Q508-I511 PolarHBondContact O-N 3.43Å; Q508-V512 WeakPolarHBondContact O-CG2 3.39Å; Q508-V512 PolarHBondContact O-N 2.87Å
509K97.3Very high96.8Very high154 Ų154107 Ų10767%0.6753%0.53SS*.Hα-helixtrans-60-41.8173.1-72.2172.6-177.4176.80111.7K505 E506 K507 V512 K513K505-K509 WeakPolarHBondContact O-CG 3.38Å; K505-K509 PolarHBondContact O-N 3.46Å; E506-K509 WeakPolarHBondContact O-CB 3.24Å; E506-K509 PolarHBondContact O-N 3.09Å; K507-K509 PolarHBondContact O-N 3.31Å; K509-V512 PolarHBondContact O-N 2.96Å; K509-K513 WeakPolarHBondContact O-CB 3.4Å; K509-K513 PolarHBondContact O-N 3.39Å
510A97.4Very high96.8Very high56 Ų56106.2 Ų106.246%0.46353%0.526SS..Hα-helixtrans-64.8-40.4176.900000112.4E506 K507 Q508 K513 C514E506-A510 PolarHBondContact O-N 2.9Å; K507-A510 WeakPolarHBondContact O-CB 3.45Å; K507-A510 PolarHBondContact O-N 2.87Å; Q508-A510 VanDerWaalsContact C-N 3.33Å; Q508-A510 PolarHBondContact O-N 3.26Å; A510-K513 PolarHBondContact O-N 2.87Å; A510-C514 WeakPolarHBondContact O-CB 3.4Å; A510-C514 PolarHBondContact O-N 3.28Å
511I97Very high96.8Very high75 Ų75105.6 Ų105.639%0.38552%0.523SS..Hα-helixtrans-63-47.3174.8-69.7164.7000110.4K507 Q508 K513 C514 K515K507-I511 VanDerWaalsContact O-CG1 3.28Å; K507-I511 WeakPolarHBondContact O-CG1 3.43Å; K507-I511 PolarHBondContact O-N 3.28Å; Q508-I511 PolarHBondContact O-N 3.43Å; I511-K513 VanDerWaalsContact C-N 3.31Å; I511-K513 PolarHBondContact O-N 3.46Å; I511-C514 PolarHBondContact O-N 3.49Å; I511-K515 HydrophobicContact CG2-CD 3.96Å; I511-K515 HydrophobicContact CG2-CG 4.26Å; I511-K515 WeakPolarHBondContact O-CB 3.34Å; I511-K515 WeakPolarHBondContact O-CG 3.06Å; I511-K515 PolarHBondContact O-N 3.45Å
512V96.8Very high96.8Very high86 Ų86104.5 Ų104.552%0.52152%0.521SS..Hα-helixtrans-59.8-43.5177.11720000110.7Q508 K509 C514 K515 A516Q508-V512 WeakPolarHBondContact O-CG2 3.39Å; Q508-V512 PolarHBondContact O-N 2.87Å; K509-V512 PolarHBondContact O-N 2.96Å; V512-C514 PolarHBondContact O-N 3.36Å; V512-K515 PolarHBondContact O-N 2.99Å; V512-A516 WeakPolarHBondContact O-CB 3.19Å; V512-A516 PolarHBondContact O-N 3.46Å
513K97.5Very high96.7Very high145 Ų145103.8 Ų103.863%0.6352%0.517SS*.Hα-helixtrans-61.3-41.7175.2-172.5176.8-176.3175.70112.4K509 A510 I511 K517K509-K513 WeakPolarHBondContact O-CB 3.4Å; K509-K513 PolarHBondContact O-N 3.39Å; A510-K513 PolarHBondContact O-N 2.87Å; I511-K513 VanDerWaalsContact C-N 3.31Å; I511-K513 PolarHBondContact O-N 3.46Å; K513-K517 WeakPolarHBondContact O-CG 3.4Å; K513-K517 PolarHBondContact O-N 3.3Å
514C96.2Very high96.6Very high69 Ų69105.4 Ų105.447%0.46652%0.523SS..Hα-helixtrans-67.3-44.9176.6-1680000111.6A510 I511 V512 A516 K517 I518A510-C514 WeakPolarHBondContact O-CB 3.4Å; A510-C514 PolarHBondContact O-N 3.28Å; I511-C514 PolarHBondContact O-N 3.49Å; V512-C514 PolarHBondContact O-N 3.36Å; C514-A516 VanDerWaalsContact C-N 3.33Å; C514-A516 PolarHBondContact O-N 3.45Å; C514-K517 WeakPolarHBondContact O-CB 3.46Å; C514-K517 PolarHBondContact O-N 2.89Å; C514-K517 VanDerWaalsContact O-N 3.13Å; C514-I518 WeakPolarHBondContact O-CG1 3.44Å; C514-I518 PolarHBondContact O-N 3.38Å
515K97.5Very high96.6Very high134 Ų134106.2 Ų106.258%0.58352%0.518SS*.Hα-helixtrans-58.5-42.5175.3-75.1-179.7177.2-178.40111.9I511 V512 K517 I518 F519I511-K515 HydrophobicContact CG2-CD 3.96Å; I511-K515 HydrophobicContact CG2-CG 4.26Å; I511-K515 WeakPolarHBondContact O-CB 3.34Å; I511-K515 WeakPolarHBondContact O-CG 3.06Å; I511-K515 PolarHBondContact O-N 3.45Å; V512-K515 PolarHBondContact O-N 2.99Å; K515-K517 VanDerWaalsContact C-N 3.35Å; K515-K517 PolarHBondContact O-N 3.17Å; K515-I518 PolarHBondContact O-N 2.93Å; K515-F519 WeakPolarHBondContact O-CB 3.36Å; K515-F519 PolarHBondContact O-N 3.47Å
516A96.7Very high96.4Very high61 Ų61107 Ų10750%0.50452%0.523SS..Hα-helixtrans-62.1-40.1175.600000112.4V512 C514 F519 H520V512-A516 WeakPolarHBondContact O-CB 3.19Å; V512-A516 PolarHBondContact O-N 3.46Å; C514-A516 VanDerWaalsContact C-N 3.33Å; C514-A516 PolarHBondContact O-N 3.45Å; A516-F519 PolarHBondContact O-N 2.76Å; A516-H520 PolarHBondContact O-N 2.87Å
517K97.2Very high96.3Very high142 Ų142105 Ų10562%0.61752%0.517SS*.Hα-helixtrans-64-43.3173.8-72179.7177.5-172.40112.3K513 C514 K515 F519 H520 N521K513-K517 WeakPolarHBondContact O-CG 3.4Å; K513-K517 PolarHBondContact O-N 3.3Å; C514-K517 WeakPolarHBondContact O-CB 3.46Å; C514-K517 PolarHBondContact O-N 2.89Å; C514-K517 VanDerWaalsContact O-N 3.13Å; K515-K517 VanDerWaalsContact C-N 3.35Å; K515-K517 PolarHBondContact O-N 3.17Å; K517-F519 VanDerWaalsContact C-N 3.33Å; K517-H520 PolarHBondContact O-N 3.1Å; K517-N521 WeakPolarHBondContact O-CB 3.43Å; K517-N521 PolarHBondContact O-N 2.87Å
518I96.9Very high96.1Very high90 Ų90104.8 Ų104.846%0.46252%0.52SS..Hα-helixtrans-62.3-44176.7-66.5166.5000110C514 K515 N521 N522C514-I518 WeakPolarHBondContact O-CG1 3.44Å; C514-I518 PolarHBondContact O-N 3.38Å; K515-I518 PolarHBondContact O-N 2.93Å; I518-N521 PolarHBondContact O-N 2.93Å; I518-N522 WeakPolarHBondContact O-CB 3.43Å; I518-N522 VanDerWaalsContact O-CG 3.25Å; I518-N522 PolarHBondContact O-N 2.97Å; I518-N522 PolarHBondContact O-ND2 2.83Å
519F96.2Very high95.8Very high146 Ų146104.2 Ų104.264%0.6452%0.52SS*.Hα-helixtrans-59.1-48.9177-176.4-95.6000111.9K515 A516 K517 N521 N522 E523K515-F519 WeakPolarHBondContact O-CB 3.36Å; K515-F519 PolarHBondContact O-N 3.47Å; A516-F519 PolarHBondContact O-N 2.76Å; K517-F519 VanDerWaalsContact C-N 3.33Å; F519-N521 VanDerWaalsContact C-N 3.33Å; F519-N521 PolarHBondContact O-N 3.44Å; F519-N522 PolarHBondContact O-N 3.23Å; F519-E523 WeakPolarHBondContact O-CB 3.41Å; F519-E523 PolarHBondContact O-N 3.4Å
520H95.9Very high95.6Very high121 Ų121103.4 Ų103.456%0.5652%0.517SS*.Hα-helixtrans-65.6-34.6178.3-170.460000112.9A516 K517 E523 R524A516-H520 PolarHBondContact O-N 2.87Å; K517-H520 PolarHBondContact O-N 3.1Å; H520-E523 IonicContact ND1-OE2 3.49Å; H520-E523 PolarHBondContact ND1-OE2 3.23Å; H520-R524 WeakPolarHBondContact O-CB 3.27Å; H520-R524 PolarHBondContact O-N 3.11Å
521N95.3Very high95.4Very high89 Ų89106.9 Ų106.948%0.47652%0.522SS..Hα-helixtrans-67.6-42.3174-165.819.9000111.5K517 I518 F519 E523 R524 I525K517-N521 WeakPolarHBondContact O-CB 3.43Å; K517-N521 PolarHBondContact O-N 2.87Å; I518-N521 PolarHBondContact O-N 2.93Å; F519-N521 VanDerWaalsContact C-N 3.33Å; F519-N521 PolarHBondContact O-N 3.44Å; N521-E523 PolarHBondContact O-N 3.07Å; N521-R524 WeakPolarHBondContact O-CB 3.24Å; N521-R524 PolarHBondContact O-N 2.74Å; N521-I525 VanDerWaalsContact O-CG1 3.29Å; N521-I525 WeakPolarHBondContact O-CG1 3.36Å; N521-I525 PolarHBondContact O-N 3.04Å
522N96.9Very high95Very high82 Ų82105.9 Ų105.944%0.43952%0.521SS..Hα-helixtrans-61.7-43.3175.3-73-15.9000111.6I518 F519 R524 I525 Q526I518-N522 WeakPolarHBondContact O-CB 3.43Å; I518-N522 VanDerWaalsContact O-CG 3.25Å; I518-N522 PolarHBondContact O-N 2.97Å; I518-N522 PolarHBondContact O-ND2 2.83Å; F519-N522 PolarHBondContact O-N 3.23Å; N522-R524 VanDerWaalsContact C-N 3.33Å; N522-R524 PolarHBondContact O-N 3.5Å; N522-I525 PolarHBondContact O-N 3.41Å; N522-Q526 WeakPolarHBondContact O-CB 3.34Å; N522-Q526 WeakPolarHBondContact O-CG 3.32Å; N522-Q526 PolarHBondContact O-N 3.43Å
523E95.4Very high94.5Very high85 Ų85107 Ų10740%0.39752%0.524SS..Hα-helixtrans-60.3-42.7174.2-174.5-174.2-169.600111.3F519 H520 N521 Q526 N527F519-E523 WeakPolarHBondContact O-CB 3.41Å; F519-E523 PolarHBondContact O-N 3.4Å; H520-E523 IonicContact ND1-OE2 3.49Å; H520-E523 PolarHBondContact ND1-OE2 3.23Å; N521-E523 PolarHBondContact O-N 3.07Å; E523-Q526 PolarHBondContact O-N 3.19Å; E523-N527 WeakPolarHBondContact O-CB 3.02Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 3.35Å; E523-N527 PolarHBondContact O-ND2 3.41Å; E523-N527 VanDerWaalsContact O-ND2 3.08Å
524R95.5Very high93.9Very high161 Ų161106.1 Ų106.161%0.60852%0.522SS*.Hα-helixtrans-63.3-42.7175.2-174.8-178.817195.5-0.2112H520 N521 N522 N527 L528H520-R524 WeakPolarHBondContact O-CB 3.27Å; H520-R524 PolarHBondContact O-N 3.11Å; N521-R524 WeakPolarHBondContact O-CB 3.24Å; N521-R524 PolarHBondContact O-N 2.74Å; N522-R524 VanDerWaalsContact C-N 3.33Å; N522-R524 PolarHBondContact O-N 3.5Å; R524-N527 PolarHBondContact O-N 3.28Å; R524-L528 HydrophobicContact CG-CD1 4.29Å; R524-L528 VanDerWaalsContact O-CG 3.31Å; R524-L528 WeakPolarHBondContact O-CG 3.48Å; R524-L528 PolarHBondContact O-N 2.95Å
525I94.6Very high93.2Very high75 Ų75111.6 Ų111.639%0.38554%0.538SS..Hα-helixtrans-63.2-46.5176.1-67.7163.9000110.1N521 N522 N527 L528 L529N521-I525 VanDerWaalsContact O-CG1 3.29Å; N521-I525 WeakPolarHBondContact O-CG1 3.36Å; N521-I525 PolarHBondContact O-N 3.04Å; N522-I525 PolarHBondContact O-N 3.41Å; I525-N527 VanDerWaalsContact C-N 3.35Å; I525-N527 PolarHBondContact O-N 3.37Å; I525-L528 PolarHBondContact O-N 3.14Å; I525-L529 HydrophobicContact CG2-CD1 3.97Å; I525-L529 HydrophobicContact CG2-CG 4.29Å; I525-L529 WeakPolarHBondContact O-CB 3.26Å; I525-L529 WeakPolarHBondContact O-CG 3.27Å; I525-L529 PolarHBondContact O-N 3.25Å
526Q94.7Very high92.3Very high135 Ų135111.4 Ų111.463%0.63155%0.547SS*.Hα-helixtrans-59.5-44176.4-76-177.7-17.300112N522 E523 L528 L529 F530N522-Q526 WeakPolarHBondContact O-CB 3.34Å; N522-Q526 WeakPolarHBondContact O-CG 3.32Å; N522-Q526 PolarHBondContact O-N 3.43Å; E523-Q526 PolarHBondContact O-N 3.19Å; Q526-L528 VanDerWaalsContact C-N 3.35Å; Q526-L528 PolarHBondContact O-N 3.15Å; Q526-L529 PolarHBondContact O-N 3Å; Q526-F530 WeakPolarHBondContact O-CB 3.18Å; Q526-F530 PolarHBondContact O-N 3.35Å
527N93.6Very high90.6Very high84 Ų84117.8 Ų117.845%0.44957%0.572SS.*Hα-helixtrans-62.7-39175.8-78.7-40.7000112.7E523 R524 I525 K531E523-N527 WeakPolarHBondContact O-CB 3.02Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 3.35Å; E523-N527 PolarHBondContact O-ND2 3.41Å; E523-N527 VanDerWaalsContact O-ND2 3.08Å; R524-N527 PolarHBondContact O-N 3.28Å; I525-N527 VanDerWaalsContact C-N 3.35Å; I525-N527 PolarHBondContact O-N 3.37Å; N527-K531 WeakPolarHBondContact O-CB 3.43Å; N527-K531 VanDerWaalsContact O-CG 3.29Å; N527-K531 WeakPolarHBondContact O-CG 3.4Å; N527-K531 PolarHBondContact O-N 3.43Å
528L92.2Very high90.2Very high100 Ų100116.6 Ų116.652%0.52457%0.57SS.*Hα-helixtrans-68.6-41.6175.4-73.1169.7000111.7R524 I525 Q526 K531 S532R524-L528 HydrophobicContact CG-CD1 4.29Å; R524-L528 VanDerWaalsContact O-CG 3.31Å; R524-L528 WeakPolarHBondContact O-CG 3.48Å; R524-L528 PolarHBondContact O-N 2.95Å; I525-L528 PolarHBondContact O-N 3.14Å; Q526-L528 VanDerWaalsContact C-N 3.35Å; Q526-L528 PolarHBondContact O-N 3.15Å; L528-K531 PolarHBondContact O-N 3.26Å; L528-S532 WeakPolarHBondContact O-CB 3.47Å; L528-S532 PolarHBondContact O-N 2.79Å; L528-S532 PolarHBondContact O-OG 3.48Å
529L92Very high89.9Confident99 Ų99118 Ų11852%0.51858%0.576SS.*Hα-helixtrans-61.8-47175.2-72.6174.8000111.1I525 Q526 K531 S532 L533I525-L529 HydrophobicContact CG2-CD1 3.97Å; I525-L529 HydrophobicContact CG2-CG 4.29Å; I525-L529 WeakPolarHBondContact O-CB 3.26Å; I525-L529 WeakPolarHBondContact O-CG 3.27Å; I525-L529 PolarHBondContact O-N 3.25Å; Q526-L529 PolarHBondContact O-N 3Å; L529-K531 PolarHBondContact O-N 2.95Å; L529-S532 WeakPolarHBondContact CA-OG 3.23Å; L529-S532 PolarHBondContact O-N 3.22Å; L529-S532 VanDerWaalsContact O-N 3.15Å; L529-S532 PolarHBondContact O-OG 2.92Å; L529-L533 WeakPolarHBondContact O-CG 3.42Å; L529-L533 PolarHBondContact O-N 2.88Å
530F93.2Very high89.5Confident136 Ų136116.4 Ų116.460%0.59657%0.572SS**Hα-helixtrans-58.2-49.5176.4-174.3-93000111.7Q526 S532 L533 E534Q526-F530 WeakPolarHBondContact O-CB 3.18Å; Q526-F530 PolarHBondContact O-N 3.35Å; F530-S532 VanDerWaalsContact C-N 3.27Å; F530-S532 PolarHBondContact O-N 3.09Å; F530-L533 PolarHBondContact O-N 2.87Å; F530-E534 PolarHBondContact O-N 2.97Å
531K91.5Very high89.1Confident130 Ų130116.2 Ų116.257%0.56557%0.573SS**Hα-helixtrans-62.6-31.2175.9-74.1178.1-179.3-175.90113.4N527 L528 L529 K535N527-K531 WeakPolarHBondContact O-CB 3.43Å; N527-K531 VanDerWaalsContact O-CG 3.29Å; N527-K531 WeakPolarHBondContact O-CG 3.4Å; N527-K531 PolarHBondContact O-N 3.43Å; L528-K531 PolarHBondContact O-N 3.26Å; L529-K531 PolarHBondContact O-N 2.95Å; K531-K535 WeakPolarHBondContact O-CG 3.42Å; K531-K535 PolarHBondContact O-N 2.96Å
532S89.5Confident88.8Confident54 Ų54117.9 Ų117.938%0.37858%0.579SS.*Hα-helixtrans-75.2-36176.568.90000112.1L528 L529 F530 K535 V536L528-S532 WeakPolarHBondContact O-CB 3.47Å; L528-S532 PolarHBondContact O-N 2.79Å; L528-S532 PolarHBondContact O-OG 3.48Å; L529-S532 WeakPolarHBondContact CA-OG 3.23Å; L529-S532 PolarHBondContact O-N 3.22Å; L529-S532 VanDerWaalsContact O-N 3.15Å; L529-S532 PolarHBondContact O-OG 2.92Å; F530-S532 VanDerWaalsContact C-N 3.27Å; F530-S532 PolarHBondContact O-N 3.09Å; S532-K535 PolarHBondContact O-N 3.02Å; S532-V536 WeakPolarHBondContact O-CG2 3.2Å; S532-V536 PolarHBondContact O-N 3.29Å
533L86.5Confident88.2Confident110 Ų110120.3 Ų120.358%0.57659%0.588SS**Hα-helixtrans-66.5-41.2173.5-74.7165000111.2L529 F530 K535 V536 L537L529-L533 WeakPolarHBondContact O-CG 3.42Å; L529-L533 PolarHBondContact O-N 2.88Å; F530-L533 PolarHBondContact O-N 2.87Å; L533-K535 PolarHBondContact O-N 3.39Å; L533-V536 PolarHBondContact O-N 3.49Å; L533-V536 VanDerWaalsContact O-N 3.13Å; L533-L537 PolarHBondContact O-N 3.2Å; L533-L537 VanDerWaalsContact O-N 3.09Å
534E84.2Confident87.7Confident126 Ų126122.8 Ų122.859%0.58960%0.602SS**Hα-helixtrans-64.7-21.2176.5-167.7177.9-165.200113.5F530F530-E534 PolarHBondContact O-N 2.97Å
535K81.8Confident87.1Confident183 Ų183119.8 Ų119.880%0.79660%0.602SS**Hα-helixtrans-88.8-17.9174.6-74.5179.9179.7-172.20114.1K531 S532 L533K531-K535 WeakPolarHBondContact O-CG 3.42Å; K531-K535 PolarHBondContact O-N 2.96Å; S532-K535 PolarHBondContact O-N 3.02Å; L533-K535 PolarHBondContact O-N 3.39Å
536V79.7Confident86.5Confident130 Ų130123.6 Ų123.679%0.78862%0.62SS**Hα-helixtrans-94.1-28-178.9173.60000110.9S532 L533S532-V536 WeakPolarHBondContact O-CG2 3.2Å; S532-V536 PolarHBondContact O-N 3.29Å; L533-V536 PolarHBondContact O-N 3.49Å; L533-V536 VanDerWaalsContact O-N 3.13Å
537L59Low85.7Confident196 Ų196122.5 Ų122.5100%1.02662%0.619SS**  trans-74.80161.6-77.4153.1000110.4L533L533-L537 PolarHBondContact O-N 3.2Å; L533-L537 VanDerWaalsContact O-N 3.09Å

Retrieved 537 of 537 residues in 344.2 ms (Link to these results)

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